SCHEMBL687499

SCHEMBL687499

COc1cccc(Cl)c1Cn1cc(C)c(O)c(NC(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSA P10619 19/20 0.45
POLB P06746 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
SCHEMBL688046 0.93 CTSA (0.42) CTSA
SCHEMBL687715 0.92 CTSA (0.39) CTSAPOLB
SCHEMBL688358 0.92 POLB (0.39) CTSAPOLB
SCHEMBL688604 0.92 POLB (0.41) CTSAPOLB
SCHEMBL688146 0.91 CTSA (0.41) CTSA
SCHEMBL688286 0.91 SMN1; SMN2 (0.39) CTSAPOLB
SCHEMBL688273 0.91 CTSA (0.38) CTSAPOLB
SCHEMBL687706 0.91 CTSA (0.45) CTSA
SCHEMBL688120 0.90 CTSA (0.42) CTSAPOLB
SCHEMBL687851 0.90 CTSA (0.38) 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