Detailed information for compound 555114

Basic information

Technical information
  • TDR Targets ID: 555114
  • Name: 4-methyl-2-methylene-pentanoic acid
  • MW: 128.169 | Formula: C7H12O2
  • H donors: 1 H acceptors: 2 LogP: 1.98 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(=C)C(=O)O)C
  • InChi: 1S/C7H12O2/c1-5(2)4-6(3)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)
  • InChiKey: XQIHFGYUMFFCFG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-methyl-2-methylenepentanoic acid
  • 4-methyl-2-methylidene-pentanoic acid
  • 2-isobutylacrylic acid
  • 4-methyl-2-methylidenepentanoic acid
  • 4-methyl-2-methylene valeric acid
  • 25044-10-4
  • Pentanoic acid, 4-methyl-2-methylene-
  • 4-Methyl-2-methylenevalerate

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
Schistosoma mansoni phosphatidylserine receptor 0.003 0.0037 0.0208
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0627 0.3857 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.0258 0.1338
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0627 0.3857 1
Echinococcus granulosus geminin 0.0169 0.0928 0.4867
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0092 0.0434 0.2418
Echinococcus granulosus lysine specific demethylase 5A 0.0113 0.0571 0.2986
Brugia malayi AF-10 protein 0.003 0.004 0.0034
Brugia malayi hypothetical protein 0.0035 0.0072 0.0155
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0627 0.3857 1
Brugia malayi Pre-SET motif family protein 0.0447 0.2703 1
Schistosoma mansoni hypothetical protein 0.0092 0.0434 0.2418
Trypanosoma cruzi Peptide deformylase 2, putative 0.0606 0.3722 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0195 0.072
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0032 0.0051 0.0251
Brugia malayi hypothetical protein 0.0054 0.0195 0.0614
Plasmodium vivax hypothetical protein, conserved 0.0092 0.0434 0.0404
Giardia lamblia Fructose-bisphosphate aldolase 0.0627 0.3857 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0092 0.0434 0.0404
Brugia malayi jmjC domain containing protein 0.003 0.0037 0.0025
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.1588 1 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0606 0.3722 1
Echinococcus granulosus muscleblind protein 0.0321 0.1903 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.003 0.0037 0.0018
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0292 0.1081
Echinococcus granulosus importin subunit beta 1 0.0028 0.0031 0.0141
Trypanosoma brucei Peptide deformylase 2 0.0606 0.3722 1
Loa Loa (eye worm) hypothetical protein 0.0321 0.1903 0.7039
Onchocerca volvulus 0.0508 0.3098 1
Brugia malayi Bromodomain containing protein 0.0086 0.0399 0.138
Echinococcus multilocularis JmjC domain containing protein 4 0.003 0.0037 0.0177
Loa Loa (eye worm) hypothetical protein 0.0157 0.0852 0.315
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.004 0.0009
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0195 0.0165
Loa Loa (eye worm) hypothetical protein 0.003 0.0037 0.0138
Schistosoma mansoni hypothetical protein 0.0304 0.1793 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0148 0.0546
Brugia malayi MH2 domain containing protein 0.0137 0.0725 0.26
Loa Loa (eye worm) jmjC domain-containing protein 0.0189 0.1057 0.3909
Echinococcus granulosus PHD finger protein rhinoceros 0.0092 0.0434 0.2263
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0195 0.0165
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0116 0.0239
Plasmodium vivax hypothetical protein, conserved 0.003 0.004 0.0009
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0014 0.0078
Loa Loa (eye worm) hypothetical protein 0.0081 0.0368 0.1361
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0084 0.0383 0.2137
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0292 0.0698
Echinococcus multilocularis peregrin 0.0094 0.0451 0.2355
Echinococcus granulosus jumonji domain containing 1A 0.003 0.0037 0.0177
Echinococcus multilocularis jumonji domain containing 1A 0.003 0.0037 0.0177
Echinococcus multilocularis muscleblind protein 1 0.0321 0.1903 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0112 0.0572
Brugia malayi jmjC domain containing protein 0.003 0.0037 0.0025
Echinococcus multilocularis geminin 0.0169 0.0928 0.4867
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0606 0.3722 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0383 0.1417
Leishmania major hypothetical protein, conserved 0.0054 0.0195 0.0427
Echinococcus granulosus chromobox protein 1 0.0069 0.0292 0.152
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0032 0.0051 0.0251
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.0725 0.2683
Echinococcus multilocularis chromobox protein 1 0.0069 0.0292 0.152
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.003 0.0037 0.0208
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.1793 0.6632
Brugia malayi F/Y-rich N-terminus family protein 0.0034 0.0069 0.0143
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.036
Brugia malayi jmjC domain containing protein 0.003 0.0037 0.0025
Schistosoma mansoni phd/f-box containing protein 0.003 0.0037 0.0208
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0627 0.3857 1
Echinococcus multilocularis snurportin 1 0.0304 0.1793 0.9421
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0195 0.0427
Mycobacterium ulcerans peptide deformylase 0.1588 1 1
Onchocerca volvulus Alhambra homolog 0.0092 0.0434 0.1277
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0014 0.0054
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0032 0.0055 0.0305
Brugia malayi PHD-finger family protein 0.0029 0.0031 0.0003
Echinococcus multilocularis muscleblind protein 0.0321 0.1903 1
Brugia malayi Muscleblind-like protein 0.0321 0.1903 0.7006
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0116 0.0238
Plasmodium falciparum phd finger protein, putative 0.0092 0.0434 0.0404
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0097 0.019
Schistosoma mansoni hypothetical protein 0.0169 0.0928 0.5176
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0084 0.0383 0.1998
Schistosoma mansoni bromodomain containing protein 0.0073 0.0313 0.1747
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.003 0.004 0.0009
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.0287 0.1492
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0112 0.0572
Echinococcus granulosus peregrin 0.0094 0.0451 0.2355
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.0258 0.0228
Plasmodium falciparum peptide deformylase 0.1588 1 1
Schistosoma mansoni chromobox protein 0.0069 0.0292 0.163
Brugia malayi RNA, U transporter 1 0.0081 0.0366 0.1256
Brugia malayi Pre-SET motif family protein 0.0064 0.0258 0.0851
Echinococcus granulosus jumonji domain containing protein 0.0127 0.0663 0.347
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0062 0.0243 0.1259
Schistosoma mansoni hypothetical protein 0.0024 0.0004 0.0021
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0195 0.0165
Brugia malayi jmjC domain containing protein 0.0113 0.0571 0.2021
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0195 0.0165
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0258 0.1439
Loa Loa (eye worm) hypothetical protein 0.0031 0.0044 0.0161
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0084 0.0383 0.2137
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0075 0.0331 0.1844
Echinococcus multilocularis jumonji domain containing protein 0.0127 0.0663 0.347
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0627 0.3857 1
Echinococcus multilocularis phd:f box containing protein 0.003 0.0037 0.0177
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0116 0.0239
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.003 0.004 0.0025
Loa Loa (eye worm) hypothetical protein 0.0092 0.0434 0.1604
Echinococcus granulosus lysine specific demethylase 6a 0.003 0.0037 0.0177
Schistosoma mansoni jumonji domain containing protein 0.003 0.0037 0.0208
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.03 0.1765 0.9273
Loa Loa (eye worm) hypothetical protein 0.0049 0.0162 0.0598
Echinococcus multilocularis PHD finger protein rhinoceros 0.0092 0.0434 0.2263
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0627 0.3857 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0627 0.3857 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0195 0.0444
Echinococcus granulosus histone lysine methyltransferase setb 0.0084 0.0383 0.1998
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.03 0.1765 0.9273
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.1588 1 0.5
Echinococcus multilocularis lysine specific demethylase 6a 0.003 0.0037 0.0177
Brugia malayi PHD-finger family protein 0.0092 0.0434 0.1508
Toxoplasma gondii histone lysine demethylase JMJD6a 0.003 0.0037 0.0007
Echinococcus multilocularis lysine specific demethylase 5A 0.0111 0.0557 0.2912
Plasmodium vivax JmjC domain containing protein 0.003 0.0037 0.0007
Leishmania major polypeptide deformylase-like protein, putative 0.0606 0.3722 1
Toxoplasma gondii hypothetical protein 0.1588 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0113 0.0571 0.3183
Loa Loa (eye worm) hypothetical protein 0.003 0.0037 0.0138
Brugia malayi PHD-finger family protein 0.0032 0.0054 0.0087
Loa Loa (eye worm) hypothetical protein 0.0032 0.0054 0.0199
Echinococcus granulosus chromobox protein 1 0.0069 0.0292 0.152
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0097 0.0176
Brugia malayi chromobox protein homolog 3 0.0039 0.0097 0.025
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0031 0.0141
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0627 0.3857 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.013 0.0482
Plasmodium vivax peptide deformylase, putative 0.1588 1 1
Schistosoma mansoni hypothetical protein 0.003 0.004 0.0221
Brugia malayi jmjC domain containing protein 0.003 0.0037 0.0025
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0447 0.2703 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0627 0.3857 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.1588 1 1
Echinococcus granulosus JmjC domain containing protein 4 0.003 0.0037 0.0177
Schistosoma mansoni chromobox protein 0.0069 0.0292 0.163
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.0725 0.2683
Echinococcus multilocularis chromobox protein 1 0.0069 0.0292 0.152
Schistosoma mansoni hypothetical protein 0.0169 0.0928 0.5176
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0627 0.3857 1
Brugia malayi jmjC domain containing protein 0.03 0.1765 0.6489
Schistosoma mansoni importin beta-1 0.0028 0.0031 0.0171
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0195 0.0427
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0292 0.0698
Trichomonas vaginalis set domain proteins, putative 0.0508 0.3098 0.8017
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0097 0.019
Brugia malayi Bromodomain containing protein 0.0044 0.013 0.0371
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0037 0.0138
Onchocerca volvulus 0.0075 0.0331 0.094
Schistosoma mansoni protein phosphatase 2C 0.003 0.0037 0.0208
Trypanosoma brucei Polypeptide deformylase 1 0.0606 0.3722 1
Brugia malayi Bromodomain containing protein 0.0094 0.0451 0.1573
Echinococcus granulosus snurportin 1 0.0304 0.1793 0.9421
Echinococcus granulosus phd:f box containing protein 0.003 0.0037 0.0177
Loa Loa (eye worm) hypothetical protein 0.0028 0.0031 0.0113
Trypanosoma cruzi Peptide deformylase 2, putative 0.0606 0.3722 1
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.003 0.004 0.0009
Toxoplasma gondii PHD-finger domain-containing protein 0.0092 0.0434 0.0404
Brugia malayi Heterochromatin protein 1 0.0069 0.0292 0.0979
Plasmodium vivax SET domain protein, putative 0.0064 0.0258 0.0228
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.003 0.004 0.0025
Schistosoma mansoni jumonji domain containing protein 0.0238 0.1371 0.7647
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.0287 0.1492
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0037 0.0138
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0014 0.0054
Loa Loa (eye worm) jmjC domain-containing protein 0.0113 0.0571 0.2111
Schistosoma mansoni jumonji/arid domain-containing protein 0.0113 0.0571 0.3183
Loa Loa (eye worm) PHD-finger family protein 0.0092 0.0434 0.1604
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.003 0.0037 0.0007
Plasmodium falciparum JmjC domain-containing protein, putative 0.003 0.0037 0.0007
Loa Loa (eye worm) hypothetical protein 0.0321 0.1903 0.7039
Treponema pallidum polypeptide deformylase (def) 0.1588 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0037 0.0138

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.