SCHEMBL687875

SCHEMBL687875

CCOc1cccc(Cl)c1Cn1nc(C)c(O)c(NC(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSA P10619 10/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.35
SLC22A12 Q96S37 4/20 0.35
CYP26A1 O43174 2/20 0.35
GPR139 Q6DWJ6 1/20 0.34

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
SCHEMBL688067 0.91 SLC22A12 (0.39) CTSASMN1; SMN2SLC22A12CYP26A1
SCHEMBL687275 0.89 SMN1; SMN2 (0.37) CTSASMN1; SMN2SLC22A12CYP26A1
SCHEMBL688193 0.85 CTSA (0.39) CTSASMN1; SMN2MAPT
SCHEMBL687048 0.85 CTSA (0.41) CTSASMN1; SMN2MAPT
SCHEMBL687715 0.85 CTSA (0.39) CTSASMN1; SMN2MAPT
SCHEMBL688267 0.84 CTSA (0.43) CTSASMN1; SMN2MAPTCYP26A1
SCHEMBL688172 0.84 MAPT (0.41) CTSASMN1; SMN2MAPT
SCHEMBL687713 0.83 CTSA (0.37) CTSASMN1; SMN2MAPT
SCHEMBL687038 0.83 SMN1; SMN2 (0.43) SMN1; SMN2MAPTCYP26A1
SCHEMBL687480 0.82 CTSA (0.36) CTSASMN1; SMN2MAPT

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