SCHEMBL7785313

SCHEMBL7785313

COc1ccc(C(NC(=O)C(C)c2ccccc2)c2cccc(Nc3c(OC)c(=O)c3=O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.49
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 7/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 6/20 0.42
POLB P06746 1/20 0.42
MAPKAPK2 P49137 1/20 0.40
GLA P06280 2/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
HSD17B2 P37059 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL7789205 0.89 GPR88 (0.48) GPR88ALDH1A1GAALMNAKMT2A
SCHEMBL7787169 0.87 ALDH1A1 (0.58) ALDH1A1GAALMNAKMT2ATP53
SCHEMBL7784885 0.81 KMT2A (0.43) ALDH1A1GAALMNAKMT2ATP53
SCHEMBL7785061 0.81 KMT2A (0.44) ALDH1A1GAALMNAKMT2ATP53
SCHEMBL7785458 0.81 ALDH1A1 (0.64) ALDH1A1GAALMNAKMT2ATP53
SCHEMBL7785160 0.80 ADRB3 (0.46) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL7784878 0.80 ALDH1A1 (0.68) ALDH1A1GAALMNAKMT2ATP53
SCHEMBL7780087 0.79 KMT2A (0.45) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL7780624 0.79 POLB (0.40) ALDH1A1GAALMNAKMT2ATP53
SCHEMBL7789113 0.78 KMT2A (0.44) ALDH1A1GAAKMT2AMEN1POLB

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