SCHEMBL7787635

SCHEMBL7787635

COc1ccc(C(NC(C)c2ccc(C)c(C)c2)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
MAPKAPK2 P49137 8/20 0.38
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ACP3 P15309 2/20 0.31
ALPL P05186 1/20 0.31
GLA P06280 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
CASR P41180 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL7787598 0.93 MAPKAPK2 (0.43) MEN1KMT2APOLBMAPKAPK2ALDH1A1
SCHEMBL7784990 0.92 POLB (0.46) MEN1KMT2APOLBMAPKAPK2MAPT
SCHEMBL7787745 0.91 MAPKAPK2 (0.41) MEN1KMT2APOLBMAPKAPK2ALDH1A1
SCHEMBL7785121 0.91 MAPKAPK2 (0.46) MEN1KMT2APOLBMAPKAPK2ALDH1A1
SCHEMBL7780349 0.89 MEN1 (0.38) MEN1KMT2APOLBMAPKAPK2LMNA
SCHEMBL7785293 0.89 MAPKAPK2 (0.40) MEN1KMT2APOLBMAPKAPK2ALDH1A1
SCHEMBL7784925 0.89 ALDH1A1 (0.41) MEN1KMT2APOLBMAPKAPK2MAPT
SCHEMBL7780305 0.89 KMT2A (0.38) MEN1KMT2APOLBMAPKAPK2ALDH1A1
SCHEMBL7787653 0.89 KMT2A (0.38) MEN1KMT2APOLBMAPKAPK2ALDH1A1
SCHEMBL7785270 0.89 KMT2A (0.38) MEN1KMT2APOLBMAPKAPK2ALDH1A1

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