SCHEMBL7785642

SCHEMBL7785642

COc1ccc(C(N[C@H](C)c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.50
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 3/20 0.47
NFE2L2 Q16236 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL27540196 1.00 ACP3 (0.50) ACP3MAPK1NPSR1ALDH1A1MAPT
SCHEMBL7788967 0.98 MAPK1 (0.51) ACP3MAPK1NPSR1ALDH1A1MAPT
SCHEMBL7785587 0.93 MAPK1 (0.47) ACP3MAPK1NPSR1ALDH1A1MAPT
SCHEMBL27530409 0.92 MAPK1 (0.47) ACP3MAPK1NPSR1ALDH1A1MAPT
SCHEMBL7785483 0.92 MAPK1 (0.47) ACP3MAPK1NPSR1ALDH1A1MAPT
SCHEMBL7785304 0.92 MAPK1 (0.48) MAPK1NPSR1ALDH1A1MAPTNPC1
SCHEMBL27556854 0.92 MAPK1 (0.48) MAPK1NPSR1ALDH1A1MAPTNPC1
SCHEMBL7780378 0.91 MAPK1 (0.46) ACP3MAPK1NPSR1ALDH1A1MAPT
SCHEMBL7785488 0.91 MAPK1 (0.46) ACP3MAPK1NPSR1ALDH1A1MAPT
SCHEMBL7780401 0.90 CRHBP (0.53) ACP3ALDH1A1MAPTSMN1; SMN2MEN1

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed