SCHEMBL688245

SCHEMBL688245

COc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccccc3Cl)c2=O)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 6/20 0.46
MAPT P10636 1/20 0.44
CTSA P10619 11/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL687015 0.91 PTGER3 (0.46) PTGER3MAPTCTSAALDH1A1
SCHEMBL688258 0.88 PTGER3 (0.45) PTGER3MAPTCTSAALDH1A1
SCHEMBL687333 0.88 PTGER3 (0.47) PTGER3MAPTCTSAALDH1A1
SCHEMBL687114 0.87 PTGER3 (0.45) PTGER3MAPTCTSAALDH1A1
SCHEMBL688289 0.86 PTGER3 (0.47) PTGER3MAPTALDH1A1
SCHEMBL687904 0.86 PTGER3 (0.47) PTGER3MAPTCTSAALDH1A1
SCHEMBL714562 0.85 PTGER3 (0.43) PTGER3MAPTALDH1A1
SCHEMBL687909 0.85 SMN1; SMN2 (0.49) PTGER3MAPTALDH1A1
SCHEMBL688250 0.85 PTGER3 (0.45) PTGER3MAPTCTSAALDH1A1
SCHEMBL687711 0.84 PTGER3 (0.45) PTGER3MAPTCTSAALDH1A1

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