SCHEMBL688669

SCHEMBL688669

COc1ccccc1-c1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3ccccc3Cl)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.42
CTSA P10619 10/20 0.42
ITGB1 P05556 5/20 0.41
ITGA4 P13612 5/20 0.41
CNR2 P34972 1/20 0.38
MAPT P10636 1/20 0.37
MME P08473 1/20 0.37
MMEL1 Q495T6 1/20 0.37

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
SCHEMBL687527 0.93 ITGB1 (0.42) PTGER3CTSAITGB1ITGA4CNR2
SCHEMBL688215 0.92 PTGER3 (0.43) PTGER3CTSAITGB1ITGA4MAPT
SCHEMBL687977 0.92 ITGB1 (0.41) PTGER3CTSAITGB1ITGA4CNR2
SCHEMBL687791 0.90 PTGER3 (0.43) PTGER3CTSACNR2
SCHEMBL687923 0.90 PTGER3 (0.41) PTGER3CTSAITGB1ITGA4CNR2
SCHEMBL686842 0.89 PTGER3 (0.45) PTGER3CTSAITGB1ITGA4CNR2
SCHEMBL688233 0.89 PTGER3 (0.43) PTGER3CTSACNR2MAPT
SCHEMBL688343 0.89 PTGER3 (0.43) PTGER3CTSACNR2MAPT
SCHEMBL688053 0.88 PTGER3 (0.43) PTGER3CTSACNR2MAPT
SCHEMBL687624 0.88 PTGER3 (0.42) PTGER3CTSACNR2MAPT

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