SCHEMBL7787584

SCHEMBL7787584

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
ADRB3 P13945 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ACP3 P15309 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL7787446 0.90 MAPT (0.52) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL7785114 0.88 SMN1; SMN2 (0.48) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL7785650 0.83 KMT2A (0.50) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL7780743 0.83 KMT2A (0.52) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL7785233 0.82 AOC3 (0.52) MEN1KMT2AMAPTSMN1; SMN2ADRB3
SCHEMBL7785132 0.81 SIGMAR1 (0.48) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL7787629 0.80 MAPT (0.42) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL27540196 0.80 ACP3 (0.50) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL7785642 0.80 ACP3 (0.50) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL7785221 0.79 ALDH1A1 (0.64) MEN1KMT2AMAPTSMN1; 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
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