SCHEMBL7548181

SCHEMBL7548181

CC(=O)Nc1ccc(OCc2nc3cc(C)cc(C)c3o2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 14/20 0.46
MAPT P10636 5/20 0.44
RXFP1 Q9HBX9 2/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 3/20 0.42
POLB P06746 1/20 0.41
ALOX5 P09917 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL7542502 0.91 MAPT (0.46) CETPMAPTRXFP1THRBSMN1; SMN2
SCHEMBL7543749 0.87 ALOX5 (0.45) CETPMAPTSMN1; SMN2POLBALOX5
SCHEMBL7542942 0.85 AGPAT2 (0.43) CETPMAPTRXFP1THRBSMN1; SMN2
SCHEMBL7544432 0.85 ALOX5 (0.44) CETPMAPTTHRBSMN1; SMN2POLB
SCHEMBL7544004 0.83 MAPT (0.46) CETPMAPTTHRBSMN1; SMN2TP53
SCHEMBL7549421 0.82 MAPK13 (0.41) MAPTPOLBALOX5EPHX2
SCHEMBL7542652 0.82 ALOX5 (0.43) SMN1; SMN2ALOX5EPHX2
SCHEMBL7542425 0.82 ALOX5 (0.48) MAPTTP53POLBALOX5EPHX2
SCHEMBL7543899 0.81 MAPT (0.45) CETPMAPTPOLBALOX5EPHX2
SCHEMBL7548836 0.80 MAPT (0.46) MAPTRXFP1THRBSMN1; SMN2TP53

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-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed