SCHEMBL687963

SCHEMBL687963

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2cn(Cc3ccccc3Cl)ccc2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 11/20 0.46
CTSA P10619 5/20 0.44
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL687891 0.83 PTGER3 (0.69) PTGER3SMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL687707 0.83 PTGER3 (0.58) PTGER3CTSASMN1; SMN2KDM4EALDH1A1
SCHEMBL688153 0.80 PTGER3 (0.45) PTGER3CTSASMN1; SMN2KDM4EALDH1A1
SCHEMBL686762 0.80 PTGER3 (0.51) PTGER3CTSASMN1; SMN2KDM4EALDH1A1
SCHEMBL686620 0.79 PTGER3 (0.50) PTGER3CTSASMN1; SMN2KDM4EALDH1A1
SCHEMBL686806 0.78 PTGER3 (0.45) PTGER3CTSA
SCHEMBL688040 0.78 PTGER3 (0.49) PTGER3CTSASMN1; SMN2KDM4EALDH1A1
SCHEMBL688305 0.78 PTGER3 (0.49) PTGER3CTSASMN1; SMN2KDM4EALDH1A1
SCHEMBL688155 0.78 PTGER3 (0.49) PTGER3CTSASMN1; SMN2KDM4EALDH1A1
SCHEMBL687872 0.78 PTGER3 (0.48) PTGER3CTSASMN1; SMN2KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed