SCHEMBL7785587

SCHEMBL7785587

COc1ccc(C(N[C@H](C)c2ccc(C)cc2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
NFE2L2 Q16236 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ACP3 P15309 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 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
SCHEMBL7788967 0.95 MAPK1 (0.51) MAPK1NPSR1MAPTNPC1ALDH1A1
SCHEMBL27540196 0.93 ACP3 (0.50) MAPK1NPSR1MAPTNPC1ALDH1A1
SCHEMBL7785642 0.93 ACP3 (0.50) MAPK1NPSR1MAPTNPC1ALDH1A1
SCHEMBL27530409 0.90 MAPK1 (0.47) MAPK1NPSR1MAPTNPC1ALDH1A1
SCHEMBL7785483 0.90 MAPK1 (0.47) MAPK1NPSR1MAPTNPC1ALDH1A1
SCHEMBL27556854 0.90 MAPK1 (0.48) MAPK1NPSR1MAPTNPC1ALDH1A1
SCHEMBL7785304 0.90 MAPK1 (0.48) MAPK1NPSR1MAPTNPC1ALDH1A1
SCHEMBL7780425 0.89 MAPK1 (0.46) MAPK1NPSR1MAPTNPC1ALDH1A1
SCHEMBL7780378 0.89 MAPK1 (0.46) MAPK1NPSR1MAPTNPC1ALDH1A1
SCHEMBL7785610 0.87 LMNA (0.48) MAPK1NPSR1MAPTNPC1ALDH1A1

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed