SCHEMBL687770

SCHEMBL687770

COc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(C)ccn(Cc3ccccc3Cl)c2=O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 10/20 0.47
MAPT P10636 2/20 0.46
LCK P06239 2/20 0.42
CTSA P10619 1/20 0.41
POLB P06746 2/20 0.41
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
PDE7A Q13946 1/20 0.39

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
SCHEMBL687114 0.94 PTGER3 (0.45) PTGER3MAPTCTSAPOLBITGB1
SCHEMBL688519 0.91 PTGER3 (0.46) PTGER3LCKITGB1ITGA4
SCHEMBL687739 0.89 LCK (0.48) PTGER3MAPTLCKCTSA
SCHEMBL688343 0.89 PTGER3 (0.43) PTGER3MAPTCTSAPOLBPDE7A
SCHEMBL687721 0.89 PTGER3 (0.62) PTGER3MAPTITGB1ITGA4
SCHEMBL686620 0.87 PTGER3 (0.50) PTGER3MAPTLCKCTSAITGB1
SCHEMBL688250 0.87 PTGER3 (0.45) PTGER3MAPTCTSAPOLBITGB1
SCHEMBL687904 0.87 PTGER3 (0.47) PTGER3MAPTCTSAPOLB
SCHEMBL688765 0.86 PTGER3 (0.49) PTGER3MAPTCTSA
SCHEMBL687711 0.85 PTGER3 (0.45) PTGER3MAPTCTSAPOLB

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