SCHEMBL688301

SCHEMBL688301

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3cccc(Cl)c3)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.42
PTGDR Q13258 4/20 0.42
CTSA P10619 5/20 0.41
ALDH1A1 P00352 1/20 0.40
P2RY14 Q15391 1/20 0.39
MAPT P10636 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
P2RX7 Q99572 1/20 0.37
FSCN1 Q16658 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL687472 0.90 KMT2A (0.41) CTSAALDH1A1MAPT
SCHEMBL687304 0.90 KEAP1 (0.41) CTSAALDH1A1MAPT
SCHEMBL687932 0.87 EGLN1 (0.44) PTGER4PTGDRCTSAALDH1A1P2RY14
SCHEMBL688046 0.87 CTSA (0.42) CTSAALDH1A1P2RX7
SCHEMBL688008 0.86 CTSA (0.41) CTSAALDH1A1
SCHEMBL688232 0.86 CTSA (0.42) CTSA
SCHEMBL688146 0.85 CTSA (0.41) CTSAALDH1A1
SCHEMBL686896 0.84 PTGER3 (0.44) CTSAP2RY14
SCHEMBL29371834 0.84 PTGER3 (0.44) CTSAP2RY14
SCHEMBL688495 0.84 POLB (0.39) CTSA

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