SCHEMBL688529

SCHEMBL688529

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3c(C)cccc3C)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP26A1 O43174 2/20 0.37
ITGB1 P05556 4/20 0.37
ITGA4 P13612 4/20 0.37
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35

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
SCHEMBL688101 0.93 CYP26A1 (0.39) CTSAMEN1POLBKMT2ACYP26A1
SCHEMBL688530 0.91 CTSA (0.43) CTSAMEN1POLBKMT2A
SCHEMBL687651 0.91 CTSA (0.44) CTSAMEN1POLBKMT2ACYP26A1
SCHEMBL687280 0.90 POLB (0.43) CTSAMEN1POLBKMT2ACYP26A1
SCHEMBL687335 0.89 CTSA (0.43) CTSAPOLB
SCHEMBL688110 0.89 MEN1 (0.49) CTSAMEN1POLBKMT2ACYP26A1
SCHEMBL687511 0.88 MEN1 (0.46) CTSAMEN1POLBKMT2ACYP26A1
SCHEMBL688357 0.87 POLB (0.41) CTSAMEN1POLBKMT2ACYP26A1
SCHEMBL688103 0.87 ALDH1A1 (0.51) CTSAMEN1POLBKMT2A
SCHEMBL7589554 0.87 ALDH1A1 (0.51) CTSAMEN1POLBKMT2A

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