SCHEMBL687533

SCHEMBL687533

Cc1cn(Cc2ccccc2Cl)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2ccc(OC(F)(F)F)cc2)c1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
MMP12 P39900 1/20 0.38
ITGB1 P05556 3/20 0.38
ITGA4 P13612 3/20 0.38
PTGER3 P43115 4/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HSD17B13 Q7Z5P4 2/20 0.37
EPHX2 P34913 1/20 0.37
CNR2 P34972 1/20 0.37
CHRM5 P08912 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL687873 0.92 PTGER3 (0.42) MAPTITGB3ITGAVMMP12ITGB1
SCHEMBL686842 0.91 PTGER3 (0.45) MAPTITGB3ITGAVITGB1ITGA4
SCHEMBL688053 0.90 PTGER3 (0.43) MAPTPTGER3PPARGCNR2
SCHEMBL686896 0.89 PTGER3 (0.44) PTGER3CNR2
SCHEMBL688284 0.89 PTGER3 (0.43) MAPTITGB1ITGA4PTGER3CNR2
SCHEMBL29371834 0.89 PTGER3 (0.44) PTGER3CNR2
SCHEMBL687791 0.88 PTGER3 (0.43) PTGER3CNR2
SCHEMBL688581 0.88 PTGER3 (0.44) ITGB1ITGA4PTGER3CNR2FPR2
SCHEMBL687923 0.88 PTGER3 (0.41) ITGB1ITGA4PTGER3CNR2
SCHEMBL688983 0.87 SMN1; SMN2 (0.42) MAPTITGB1ITGA4PTGER3EPHX2

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 2 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-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed