SCHEMBL6165006

SCHEMBL6165006

CCOC(=O)c1c(-c2ccc(C(=O)O)cc2)c[nH]c1Cc1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRS3 P32247 1/20 0.40
BCL2 P10415 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
PTGES O14684 1/20 0.38
SETD7 Q8WTS6 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
POLB P06746 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL6165012 0.94 ALOX5 (0.42) ALOX5MAPTMAPK1SMN1; SMN2SETD7
SCHEMBL6163170 0.87 SMN1; SMN2 (0.52) ALOX5MAPTMAPK1SMN1; SMN2MRGPRX4
SCHEMBL6162975 0.85 MAPK14 (0.44) ALOX5MAPTMAPK1SMN1; SMN2BRS3
SCHEMBL6166441 0.85 MMP2 (0.42) ALOX5MAPTMAPK1PTGESTLR8
SCHEMBL6163317 0.82 MAPT (0.56) ALOX5MAPTMAPK1SMN1; SMN2PTGES
SCHEMBL6163789 0.81 ALOX5 (0.38) ALOX5MAPTMAPK1SMN1; SMN2BRS3
SCHEMBL6162430 0.81 SMN1; SMN2 (0.60) ALOX5MAPTMAPK1SMN1; SMN2PTGES
SCHEMBL6166329 0.80 ALOX5 (0.35) ALOX5MAPTMAPK1SETD7POLB
SCHEMBL6162773 0.79 MAPT (0.48) ALOX5MAPTMAPK1SMN1; SMN2SETD7
SCHEMBL6165221 0.79 MAPT (0.48) ALOX5MAPTMAPK1SMN1; SMN2MRGPRX4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed