SCHEMBL687428

SCHEMBL687428

O=C(O)C[C@H](NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O)c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.56
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.49
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL687886 1.00 PTGER3 (0.56) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687571 0.91 ALDH1A1 (0.50) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688325 0.89 ALDH1A1 (0.51) PTGER3KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL687867 0.89 PTGER3 (0.52) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL4700630 0.89 MAPT (0.44) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688073 0.88 ALDH1A1 (0.44) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687785 0.88 PTGER3 (0.61) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL687922 0.88 PTGER3 (0.50) PTGER3KDM4EALDH1A1MEN1KMT2A
SCHEMBL695420 0.87 MAPT (0.54) PTGER3KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL688224 0.87 PTGER3 (0.51) PTGER3KDM4EALDH1A1ITGB3ITGAV

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