SCHEMBL687048

SCHEMBL687048

CCOc1cccc(Cl)c1Cn1c(C)c(C)c(O)c(NC(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.35
P2RX3 P56373 1/20 0.34
POLB P06746 1/20 0.34
PLA2G2A P14555 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP3A4 P08684 1/20 0.34
GNRHR P30968 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
SCHEMBL688543 0.95 SMN1; SMN2 (0.38) CTSASMN1; SMN2POLBPLA2G2ANPSR1
SCHEMBL688193 0.94 CTSA (0.39) CTSASMN1; SMN2MAPTP2RX3POLB
SCHEMBL686800 0.91 PPARG (0.41) CTSASMN1; SMN2PLA2G2ANPSR1RXFP1
SCHEMBL27741949 0.90 PPARG (0.38) SMN1; SMN2P2RX3
SCHEMBL687544 0.89 SMN1; SMN2 (0.38) CTSASMN1; SMN2MAPTPOLBNPSR1
SCHEMBL686965 0.89 PPARG (0.40) SMN1; SMN2P2RX3CYP3A4GNRHR
SCHEMBL687866 0.89 CTSA (0.41) CTSASMN1; SMN2MAPT
SCHEMBL27741938 0.87 SMN1; SMN2 (0.42) CTSASMN1; SMN2P2RX3POLBNPSR1
SCHEMBL687967 0.87 SMN1; SMN2 (0.42) CTSASMN1; SMN2P2RX3POLBNPSR1
SCHEMBL687480 0.87 CTSA (0.36) CTSASMN1; SMN2MAPTP2RX3

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