SCHEMBL687501

SCHEMBL687501

Cc1ccccc1[C@H](CC(=O)O)NC(=O)Nc1c(O)c(C)cn(Cc2ccccc2Cl)c1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSA P10619 17/20 0.45
PTGER3 P43115 1/20 0.44
CNR2 P34972 1/20 0.43
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL688606 0.92 PTGER3 (0.42) CTSAPTGER3CNR2SLC22A12
SCHEMBL688053 0.91 PTGER3 (0.43) CTSAPTGER3CNR2SLC22A12
SCHEMBL688284 0.89 PTGER3 (0.43) CTSAPTGER3CNR2SLC22A12
SCHEMBL686896 0.89 PTGER3 (0.44) CTSAPTGER3CNR2SLC22A12
SCHEMBL29371834 0.89 PTGER3 (0.44) CTSAPTGER3CNR2SLC22A12
SCHEMBL687923 0.88 PTGER3 (0.41) CTSAPTGER3CNR2SLC22A12
SCHEMBL688195 0.88 PTGER3 (0.41) PTGER3CNR2SLC22A12
SCHEMBL687669 0.87 PTGER3 (0.39) CTSAPTGER3CNR2SLC22A12
SCHEMBL688442 0.87 PTGER3 (0.42) CTSAPTGER3CNR2SLC22A12
SCHEMBL688170 0.87 PTGER3 (0.41) PTGER3CNR2SLC22A12

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