SCHEMBL688120

SCHEMBL688120

CCCc1cn(Cc2c(Cl)cccc2OC)c(=O)c(NC(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSA P10619 19/20 0.42
POLB P06746 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
SCHEMBL687713 0.93 CTSA (0.37) CTSAPOLB
SCHEMBL687617 0.92 POLB (0.38) CTSAPOLB
SCHEMBL686879 0.92 POLB (0.36) CTSAPOLB
SCHEMBL687499 0.90 CTSA (0.45) CTSAPOLB
SCHEMBL687913 0.89 SMN1; SMN2 (0.47) CTSAPOLB
SCHEMBL688582 0.89 SMN1; SMN2 (0.39) CTSAPOLB
SCHEMBL686761 0.88 SMN1; SMN2 (0.37) CTSAPOLB
SCHEMBL687127 0.87 PTGER3 (0.42) CTSA
SCHEMBL687232 0.85 CTSA (0.46) CTSAPOLB
SCHEMBL688286 0.84 SMN1; SMN2 (0.39) CTSAPOLB

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