SCHEMBL6500179

SCHEMBL6500179

CS(=O)(=O)Nc1cccc(CCC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.57
FFAR1 O14842 2/20 0.53
PTPN1 P18031 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NR3C1 P04150 1/20 0.52
SIRT1 Q96EB6 1/20 0.51
POLB P06746 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
GFER P55789 1/20 0.49
KEAP1 Q14145 2/20 0.49
RHOA P61586 1/20 0.48
HTR6 P50406 1/20 0.48
PTPRB P23467 1/20 0.48
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48
PTEN P60484 1/20 0.48
PTPMT1 Q8WUK0 1/20 0.48
TBXA2R P21731 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1414024 0.88 ALDH1A1 (0.56) FABP4PTPN1ALDH1A1SMN1; SMN2NR3C1
SCHEMBL2767758 0.84 ALDH1A1 (0.55) FABP4ALDH1A1SMN1; SMN2NR3C1POLB
SCHEMBL246185 0.83 ALDH1A1 (0.53) PTPN1ALDH1A1SMN1; SMN2NR3C1SIRT1
SCHEMBL3557388 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NR3C1POLBKEAP1
SCHEMBL4360347 0.82 THRA (0.73) FABP4FFAR1SMN1; SMN2NR3C1POLB
SCHEMBL4350235 0.82 THRA (0.58) FABP4FFAR1SMN1; SMN2NR3C1POLB
SCHEMBL3559365 0.81 ALDH1A1 (0.52) PTPN1ALDH1A1SMN1; SMN2NR3C1POLB
SCHEMBL6840091 0.81 NR3C1 (0.54) ALDH1A1SMN1; SMN2NR3C1POLBKEAP1
SCHEMBL12017476 0.81 FFAR1 (0.58) FABP4FFAR1SIRT1ITGB3ITGA2B
SCHEMBL657740 0.81 ALDH1A1 (0.64) FFAR1ALDH1A1SMN1; SMN2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101475526-A Carboxylic acid derivatives inhibiting the binding of integrins to receptors thereof TEXAS BIOTECHNOLOGY CORP (US) 2009-07-08 CN claimed
CN-1412181-A Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2003-04-23 CN claimed
CN-101475526-B Carboxylic acid derivatives inhibiting the binding of integrins to receptors thereof TEXAS BIOTECHNOLOGY CORP 2011-05-25 CN disclosed
CN-101475526-A Carboxylic acid derivatives inhibiting the binding of integrins to receptors thereof TEXAS BIOTECHNOLOGY CORP (US) 2009-07-08 CN disclosed
CN-100491353-C Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2009-05-27 CN disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
CN-1412181-A Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2003-04-23 CN disclosed