Detailed information for compound 549770

Basic information

Technical information
  • TDR Targets ID: 549770
  • Name: S-(2-hydroxyethyl) 2-methylprop-2-enethioate
  • MW: 146.207 | Formula: C6H10O2S
  • H donors: 1 H acceptors: 2 LogP: 0.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=C)C(=O)SCCO
  • InChi: 1S/C6H10O2S/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3
  • InChiKey: JOSPATDJXGYHCF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methyl-2-propenethioic acid S-(2-hydroxyethyl) ester
  • 2-methylprop-2-enethioic acid S-(2-hydroxyethyl) ester
  • hydroxyethylthiomethacrylate
  • 169682-76-2
  • Thiomethacrylic acid S-(2-hydroxyethyl) ester
  • 2-Propenethioic acid, 2-methyl-, S-(2-hydroxyethyl) ester
  • HETMA

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.022
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0197 0.2339 0.402
Schistosoma mansoni hypothetical protein 0.0135 0.1554 0.3132
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0431 0.0868
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0174 0.0659
Schistosoma mansoni tar DNA-binding protein 0.0391 0.4785 0.9644
Loa Loa (eye worm) hypothetical protein 0.0025 0.0174 0.0296
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0295 1
Echinococcus multilocularis GPCR, family 2 0.0062 0.0643 0.0643
Loa Loa (eye worm) CXXC zinc finger family protein 0.0061 0.063 0.108
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.013 0.013
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0431 0.0431
Schistosoma mansoni tar DNA-binding protein 0.0391 0.4785 0.9644
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.013 0.022
Brugia malayi beta-NAC-like protein 0.0035 0.0295 0.0504
Schistosoma mansoni cpg binding protein 0.0065 0.0674 0.1358
Brugia malayi MH2 domain containing protein 0.0118 0.1352 0.2322
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.013 0.0262
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.0295 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.013 0.013
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0135 0.1554 0.267
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.013 0.022
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0002 0.0002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.013 0.022
Echinococcus multilocularis survival motor neuron protein 1 0.0473 0.5814 0.5814
Echinococcus granulosus GPCR family 2 0.0062 0.0643 0.1106
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0062 0.0643 0.1106
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.022
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0584 0.722 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.022
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.013 0.022
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.013 0.022
Echinococcus granulosus FTZ F1 alpha 0.0022 0.013 0.0223
Giardia lamblia Fructose-bisphosphate aldolase 0.0584 0.722 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0062 0.0643 0.1103
Brugia malayi steroid hormone receptor 0.0022 0.013 0.022
Trichomonas vaginalis set domain proteins, putative 0.0236 0.2838 0.3903
Loa Loa (eye worm) RNA binding protein 0.0391 0.4785 0.8229
Brugia malayi hypothetical protein 0.0025 0.0174 0.0296
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0062 0.0643 0.0643
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.013 0.0262
Brugia malayi RNA recognition motif domain containing protein 0.0391 0.4785 0.8229
Onchocerca volvulus 0.0236 0.2838 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0584 0.722 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.013 0.022
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.022
Brugia malayi nuclear receptor NHR-88 0.0022 0.013 0.022
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0295 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.013 0.0223
Schistosoma mansoni hypothetical protein 0.0062 0.0643 0.1296
Schistosoma mansoni hypothetical protein 0.0096 0.1073 0.2163
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.013 0.013
Brugia malayi latrophilin 2 splice variant baaae 0.0135 0.1554 0.267
Echinococcus multilocularis geminin 0.0165 0.1935 0.1935
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0111 0.0191
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.013 0.0262
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0062 0.0643 0.1106
Echinococcus granulosus dnaJ subfamily B 0.0405 0.4962 0.8534
Leishmania major basic transcription factor 3a, putative 0.0035 0.0295 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.013 0.0262
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1352 0.2322
Brugia malayi CXXC zinc finger family protein 0.0061 0.063 0.108
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.013 0.022
Schistosoma mansoni nuclear hormone receptor 0.0022 0.013 0.0262
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0431 0.0741
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.013 0.022
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.013 0.0223
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0285 0.3455 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.0473 0.5814 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0249 0.0249
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.013 0.0262
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0064 0.0064
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0174 0.4033
Schistosoma mansoni hypothetical protein 0.0062 0.0643 0.1296
Echinococcus multilocularis tar DNA binding protein 0.0391 0.4785 0.4785
Schistosoma mansoni tar DNA-binding protein 0.0391 0.4785 0.9644
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0131 0.1508 0.3039
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0174 0.4033
Brugia malayi Calcitonin receptor-like protein seb-1 0.0197 0.2339 0.402
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0584 0.722 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0431 0.0431
Schistosoma mansoni tar DNA-binding protein 0.0391 0.4785 0.9644
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0062 0.0643 0.0643
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.0295 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0584 0.722 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0002 0.0004
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0002 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.013 0.022
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0092 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0431 0.0868
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.013 0.022
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0249 0.0501
Loa Loa (eye worm) hypothetical protein 0.0197 0.2339 0.402
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.022
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0295 0.0364
Plasmodium vivax SET domain protein, putative 0.0031 0.0249 0.7729
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.013 0.022
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0174 0.4033
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.2478 0.426
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.013 0.0262
Schistosoma mansoni hypothetical protein 0.0165 0.1935 0.39
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.013 0.0223
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0064 0.0064
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0064 0.0129
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0295 0.0364
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0092 0.0082
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0584 0.722 1
Schistosoma mansoni thyroid hormone receptor 0.0022 0.013 0.0262
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0092 0.0155
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0249 0.0501
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.013 0.0223
Echinococcus granulosus survival motor neuron protein 1 0.0473 0.5814 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0431 0.0741
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1352 0.2322
Echinococcus granulosus geminin 0.0165 0.1935 0.3328
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0218 0.0375
Brugia malayi Pre-SET motif family protein 0.0031 0.0249 0.0425
Schistosoma mansoni thyroid hormone receptor 0.0022 0.013 0.0262
Brugia malayi ecdysteroid receptor 0.0022 0.013 0.022
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.013 0.022
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.013 0.0262
Onchocerca volvulus 0.0061 0.063 0.1845
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0285 0.3455 1
Schistosoma mansoni cpg binding protein 0.0065 0.0674 0.1358
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.013 0.0223
Brugia malayi TAR-binding protein 0.0391 0.4785 0.8229
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0295 0.0364
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.013 0.022
Loa Loa (eye worm) histone methyltransferase 0.002 0.0111 0.0187
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.013 0.013
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.013 0.022
Onchocerca volvulus 0.0096 0.1073 0.3484
Loa Loa (eye worm) hypothetical protein 0.0062 0.0643 0.1103
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.013 0.0223
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.013 0.022
Echinococcus multilocularis dnaJ subfamily B 0.0405 0.4962 0.4962
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.013 0.022
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0249 0.1263
Schistosoma mansoni hypothetical protein 0.0062 0.0643 0.1296
Schistosoma mansoni cpg binding protein 0.0061 0.063 0.1269
Loa Loa (eye worm) hypothetical protein 0.0031 0.0249 0.0425
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0295 0.0504
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0249 0.0501
Brugia malayi Latrophilin receptor protein 2 0.0062 0.0643 0.1103
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0285 0.3455 0.5
Leishmania major hypothetical protein, conserved 0.0025 0.0174 0.4033
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.022
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.013 0.022
Schistosoma mansoni hypothetical protein 0.0062 0.0643 0.1296
Schistosoma mansoni hypothetical protein 0.0165 0.1935 0.39
Brugia malayi hypothetical protein 0.0016 0.0062 0.0104
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0002 0.0003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0584 0.722 1
Schistosoma mansoni hypothetical protein 0.0405 0.4962 1
Schistosoma mansoni ap endonuclease 0.0019 0.0092 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.013 0.022
Loa Loa (eye worm) latrophilin receptor protein 2 0.0062 0.0643 0.1103
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.013 0.022
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0064 0.011
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.013 0.0262
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0096 0.1073 0.1843
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0064 0.011
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0092 0.0092
Schistosoma mansoni ap endonuclease 0.0019 0.0092 0.0186
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0197 0.2339 0.402
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.013 0.013
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.013 0.022
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0092 0.0158
Toxoplasma gondii NAC domain-containing protein 0.0035 0.0295 0.1634
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0584 0.722 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0111 0.0111
Schistosoma mansoni tar DNA-binding protein 0.0391 0.4785 0.9644
Echinococcus granulosus tar DNA binding protein 0.0391 0.4785 0.823
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0584 0.722 1
Echinococcus multilocularis cpg binding protein 0.0065 0.0674 0.0674
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.013 0.022
Echinococcus multilocularis transcription factor btf3 0.0035 0.0295 0.0295
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.0295 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0431 0.0738
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.013 0.013
Loa Loa (eye worm) TAR-binding protein 0.0391 0.4785 0.8229
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.013 0.0262
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.022
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0092 0.0155
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0391 0.4785 0.8229
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.013 0.022
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0092 0.0082
Schistosoma mansoni transcription factor btf3 0.0035 0.0295 0.0594
Entamoeba histolytica hypothetical protein 0.0035 0.0295 0.0285
Schistosoma mansoni coup transcription factor 0.0022 0.013 0.0262
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.022
Echinococcus granulosus transcription factor btf3 0.0035 0.0295 0.0507
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0249 0.0501
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0584 0.722 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.013 0.0223
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0174 0.4033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.013 0.022
Onchocerca volvulus 0.0031 0.0249 0.0439
Treponema pallidum fructose-bisphosphate aldolase 0.0584 0.722 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0117 0.1333 1
Entamoeba histolytica transcription factor BTF3, putative 0.0035 0.0295 0.0285
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0108 0.0182
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0431 0.0868
Brugia malayi Pre-SET motif family protein 0.0208 0.2478 0.426
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0584 0.722 1
Brugia malayi hypothetical protein 0.0473 0.5814 1
Brugia malayi nuclear hormone receptor 0.0022 0.013 0.022
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0174 0.4033
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.013 0.013
Echinococcus granulosus cpg binding protein 0.0065 0.0674 0.1159
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0431 0.0738
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0174 0.4033
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.013 0.0223
Schistosoma mansoni hypothetical protein 0.0019 0.0103 0.0207
Schistosoma mansoni survival motor neuron protein 0.0096 0.1073 0.2163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.013 0.022
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0249 0.0428
Brugia malayi RNA binding protein 0.0391 0.4785 0.8229

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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