SCHEMBL688399

SCHEMBL688399

CCCCCc1cn(Cc2ccccc2Cl)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 9/20 0.40
CNR2 P34972 1/20 0.39
CTSA P10619 5/20 0.38
MAPT P10636 1/20 0.36
P2RY14 Q15391 1/20 0.34

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
SCHEMBL688643 0.98 PTGER3 (0.41) PTGER3CNR2CTSAMAPT
SCHEMBL687127 0.94 PTGER3 (0.42) PTGER3CNR2CTSAMAPTP2RY14
SCHEMBL686663 0.92 PTGER3 (0.44) PTGER3CNR2CTSAMAPTP2RY14
SCHEMBL686806 0.89 PTGER3 (0.45) PTGER3CNR2CTSAMAPTP2RY14
SCHEMBL29371834 0.88 PTGER3 (0.44) PTGER3CNR2CTSAP2RY14
SCHEMBL686896 0.88 PTGER3 (0.44) PTGER3CNR2CTSAP2RY14
SCHEMBL688458 0.86 PTGER3 (0.43) PTGER3CNR2CTSAMAPT
SCHEMBL686903 0.84 SLC22A12 (0.40) PTGER3CNR2MAPT
SCHEMBL687778 0.83 CNR2 (0.43) PTGER3CNR2CTSA
SCHEMBL688053 0.83 PTGER3 (0.43) PTGER3CNR2CTSAMAPT

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