Detailed information for compound 656559

Basic information

Technical information
  • TDR Targets ID: 656559
  • Name: methyl 2-(2-oxochromen-7-yl)oxypropanoate
  • MW: 248.231 | Formula: C13H12O5
  • H donors: 0 H acceptors: 2 LogP: 2.2 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C(Oc1ccc2c(c1)oc(=O)cc2)C
  • InChi: 1S/C13H12O5/c1-8(13(15)16-2)17-10-5-3-9-4-6-12(14)18-11(9)7-10/h3-8H,1-2H3
  • InChiKey: NKDZQZOSXGWNAK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(2-oxo-7-chromenyl)oxy]propanoic acid methyl ester
  • 2-(2-ketochromen-7-yl)oxypropionic acid methyl ester
  • BIM-0001923.P001
  • T0514-1002
  • CBMicro_002015
  • Oprea1_556696

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) jmjC domain-containing protein 0.0042 0.0673 0.1187
Brugia malayi Muscleblind-like protein 0.0152 0.3506 0.6203
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0091 0.0091
Loa Loa (eye worm) fibroinase 0.0019 0.0091 0.0156
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0551 0.4466
Entamoeba histolytica hypothetical protein 0.0037 0.0548 0.3699
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.1442 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0091 0.0091
Brugia malayi hypothetical protein 0.0037 0.0548 0.0966
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1158 0.1123
Leishmania major cathepsin L-like protease 0.0072 0.1442 1
Echinococcus granulosus cpg binding protein 0.0034 0.0485 0.0485
Trypanosoma cruzi major cysteine proteinase, putative 0.0056 0.105 0.7098
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2871 0.2843
Echinococcus granulosus lysosomal alpha glucosidase 0.0166 0.3849 0.3849
Loa Loa (eye worm) hypothetical protein 0.0152 0.3506 0.6203
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.1555 0.1555
Brugia malayi follicle stimulating hormone receptor 0.0236 0.565 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0551 0.3402
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0742 0.0742
Loa Loa (eye worm) ctsf protein 0.0019 0.0091 0.0156
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0548 0.0511
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0551 1
Echinococcus multilocularis dnaJ subfamily B 0.0407 1 1
Plasmodium vivax hypothetical protein, conserved 0.003 0.0369 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0742 0.0742
Schistosoma mansoni hypothetical protein 0.0037 0.0548 0.0511
Brugia malayi PHD-finger family protein 0.003 0.0369 0.0647
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0742 0.0705
Schistosoma mansoni cpg binding protein 0.0034 0.0485 0.0447
Loa Loa (eye worm) hypothetical protein 0.015 0.3438 0.6082
Brugia malayi Cathepsin L-like precursor 0.0019 0.0091 0.0156
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0551 0.3402
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0549 0.0549
Schistosoma mansoni hypothetical protein 0.0044 0.0727 0.069
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0091 0.0091
Entamoeba histolytica hypothetical protein 0.0037 0.0548 0.3699
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.1176 0.2078
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0369 0.2697
Schistosoma mansoni alpha-glucosidase 0.0143 0.3259 0.3232
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0049 0.0872 0.0872
Echinococcus granulosus zinc finger protein 0.0043 0.0711 0.0711
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0091 0.0091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1442 1
Schistosoma mansoni hypothetical protein 0.0407 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0128 0.2883 0.2883
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2871 0.2843
Onchocerca volvulus 0.0029 0.034 0.0916
Brugia malayi hypothetical protein 0.0125 0.2805 0.4962
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0551 0.3718
Schistosoma mansoni hypothetical protein 0.0164 0.3803 0.3779
Echinococcus multilocularis zinc finger protein 0.0043 0.0711 0.0711
Brugia malayi Cathepsin L-like precursor 0.0019 0.0091 0.0156
Brugia malayi Cathepsin L-like precursor 0.0019 0.0091 0.0156
Brugia malayi Cathepsin L-like precursor 0.0019 0.0091 0.0156
Brugia malayi Cathepsin L-like precursor 0.0019 0.0091 0.0156
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0551 1
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.1442 1
Trypanosoma cruzi ISWI complex protein 0.0032 0.0438 0.2569
Echinococcus multilocularis muscleblind protein 0.0152 0.3506 0.3506
Leishmania major cathepsin L-like protease 0.0072 0.1442 1
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0184 0.0321
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0091 0.0156
Echinococcus granulosus geminin 0.0164 0.3803 0.3803
Echinococcus granulosus peregrin 0.0035 0.0497 0.0497
Loa Loa (eye worm) bromodomain containing protein 0.0037 0.0566 0.0997
Echinococcus multilocularis cysteine protease 0.0019 0.0091 0.0091
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.2094 0.2094
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1442 1
Brugia malayi jmjC domain containing protein 0.0042 0.0673 0.1187
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1442 1
Loa Loa (eye worm) PHD-finger family protein 0.0044 0.0727 0.1282
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.2871 0.5079
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0604 0.0604
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.1328 0.1293
Echinococcus granulosus lysine specific demethylase 5A 0.0042 0.0673 0.0673
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.1328 0.2346
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0091 0.0052
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0551 0.097
Entamoeba histolytica hypothetical protein 0.0037 0.0548 0.3699
Schistosoma mansoni hypothetical protein 0.003 0.0369 0.0331
Echinococcus granulosus muscleblind protein 0.0152 0.3506 0.3506
Echinococcus multilocularis peregrin 0.0035 0.0497 0.0497
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.1328 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1442 1
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0091 0.0156
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0369 0.0647
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0533 0.0496
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0742 0.1309
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2871 0.2843
Trypanosoma cruzi ISWI complex protein 0.0032 0.0438 0.2569
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.1328 0.9151
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0551 0.3402
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1442 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2871 0.2843
Loa Loa (eye worm) hypothetical protein 0.003 0.0369 0.0647
Echinococcus granulosus methyl CpG binding domain protein 2 0.0036 0.0533 0.0533
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0604 0.0604
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0551 1
Brugia malayi jmjC domain containing protein 0.0097 0.2094 0.3703
Loa Loa (eye worm) hypothetical protein 0.0081 0.1687 0.2982
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0065 0.1283 0.8824
Echinococcus multilocularis geminin 0.0164 0.3803 0.3803
Echinococcus multilocularis cysteine protease 0.0019 0.0091 0.0091
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0369 0.0369
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0666 0.0666
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0369 0.0331
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0166 0.3849 0.681
Echinococcus granulosus fetal alzheimer antigen falz 0.0049 0.0872 0.0872
Loa Loa (eye worm) hypothetical protein 0.0019 0.0091 0.0156
Onchocerca volvulus Huntingtin homolog 0.0125 0.2805 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0551 1
Echinococcus granulosus tar DNA binding protein 0.0128 0.2871 0.2871
Schistosoma mansoni zinc finger protein 0.0032 0.0438 0.04
Brugia malayi CXXC zinc finger family protein 0.0029 0.034 0.0596
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0673 0.0636
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0549 0.0512
Loa Loa (eye worm) hypothetical protein 0.0125 0.2805 0.4962
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0673 0.0636
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0049 0.0872 0.0836
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0549 0.0512
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.112 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0528 0.0528
Brugia malayi Cathepsin L-like precursor 0.0019 0.0091 0.0156
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0548 0.0548
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.3849 0.3849
Schistosoma mansoni zinc finger protein 0.0043 0.0711 0.0675
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1442 1
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.2871 0.5079
Loa Loa (eye worm) hypothetical protein 0.0037 0.0549 0.0967
Brugia malayi Glycosyl hydrolases family 31 protein 0.0166 0.3849 0.681
Brugia malayi PHD-finger family protein 0.0054 0.1 0.1765
Onchocerca volvulus Huntingtin homolog 0.0125 0.2805 1
Brugia malayi Bromodomain containing protein 0.0081 0.1683 0.2975
Brugia malayi TAR-binding protein 0.0128 0.2871 0.5079
Schistosoma mansoni hypothetical protein 0.0032 0.0438 0.04
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0551 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1442 1
Loa Loa (eye worm) RNA binding protein 0.0128 0.2871 0.5079
Trypanosoma brucei glucosidase, putative 0.0037 0.0551 0.1121
Schistosoma mansoni cpg binding protein 0.0034 0.0485 0.0447
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2871 0.2843
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0549 0.0549
Loa Loa (eye worm) hypothetical protein 0.0152 0.3506 0.6203
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0091 0.0091
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.1328 0.1328
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.1555 0.1555
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0369 0.2697
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.1328 0.1328
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0551 1
Onchocerca volvulus Alhambra homolog 0.003 0.0369 0.1023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0742 0.0705
Echinococcus multilocularis muscleblind protein 1 0.0152 0.3506 0.3506
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.2094 0.2094
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1442 1
Echinococcus multilocularis cpg binding protein 0.0034 0.0485 0.0485
Loa Loa (eye worm) cysteine protease 0.0019 0.0091 0.0156
Loa Loa (eye worm) hypothetical protein 0.0092 0.196 0.3465
Trypanosoma cruzi cruzipain precursor, putative 0.0072 0.1442 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1442 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0551 0.3718
Schistosoma mansoni hypothetical protein 0.0164 0.3803 0.3779
Entamoeba histolytica hypothetical protein 0.0037 0.0548 0.3699
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0091 0.0091
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0128 0.2883 0.2883
Leishmania major hypothetical protein, conserved 0.0032 0.0438 0.2569
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0551 0.097
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0742 0.1309
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0551 1
Schistosoma mansoni alpha-glucosidase 0.0143 0.3259 0.3232
Plasmodium falciparum phd finger protein, putative 0.003 0.0369 1
Loa Loa (eye worm) TAR-binding protein 0.0128 0.2871 0.5079
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1442 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.034 0.0596
Leishmania major cathepsin L-like protease 0.0072 0.1442 1
Echinococcus multilocularis tar DNA binding protein 0.0128 0.2871 0.2871
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0091 0.0052
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0036 0.0533 0.0533
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0548 0.0548
Giardia lamblia PHD finger protein 15 0.003 0.0369 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.3849 0.3849
Echinococcus granulosus cathepsin l1 0.0019 0.0091 0.0091
Brugia malayi Bromodomain containing protein 0.0035 0.0497 0.0874
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.1328 0.2346
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1328 0.9151
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 0.565 1
Brugia malayi Bromodomain containing protein 0.016 0.3711 0.6566
Schistosoma mansoni alpha glucosidase 0.0037 0.0551 0.0513
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0091 0.0156
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0551 0.0551
Loa Loa (eye worm) hypothetical protein 0.0086 0.1815 0.3208
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0666 0.0666
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.1442 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0742 0.0742
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0369 0.0369
Schistosoma mansoni jumonji domain containing protein 0.0077 0.1584 0.1551
Schistosoma mansoni bromodomain containing protein 0.0136 0.3077 0.3049
Schistosoma mansoni cpg binding protein 0.0029 0.034 0.0302
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0742 0.0742
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1442 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1328 0.8858
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0533 0.0496
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0742 0.0705
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0551 1
Brugia malayi RNA binding protein 0.0128 0.2871 0.5079
Loa Loa (eye worm) hypothetical protein 0.0051 0.0911 0.1607
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0551 0.0551
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1328 0.9151
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0551 1
Onchocerca volvulus 0.0096 0.2062 0.7261
Loa Loa (eye worm) hypothetical protein 0.0125 0.2805 0.4962

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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