SCHEMBL687727

SCHEMBL687727

O=C(O)C[C@H](NC(=O)Nc1cccn(CCc2cccs2)c1=O)c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
ITGB3 P05106 12/20 0.43
ITGA2B P08514 7/20 0.43
ITGAV P06756 6/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 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
SCHEMBL687812 0.92 POLB (0.45) POLBHPGDITGB3ITGA2BITGAV
SCHEMBL687571 0.83 ALDH1A1 (0.50) POLBHPGDITGB3ITGA2BITGAV
SCHEMBL687749 0.83 GAA (0.48) ITGB3ITGA2BITGAVNPC1RAB9A
SCHEMBL14303532 0.83 POLB (0.48) POLBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4757908 0.82 ITGB3 (0.42) ITGB3ITGA2BITGAVTP53
SCHEMBL687728 0.82 ITGB3 (0.41) ITGB3ITGA2BITGAVRAB9A
SCHEMBL13120840 0.81 POLB (0.43) POLBHPGDITGB3ITGA2BNPC1
SCHEMBL695420 0.81 MAPT (0.54) POLBHPGDITGB3ITGA2BSMN1; SMN2
SCHEMBL687253 0.81 ITGB3 (0.44) HPGDITGB3ITGA2BITGAV
SCHEMBL688325 0.81 ALDH1A1 (0.51) POLBHPGDITGB3ITGA2BITGAV

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