SCHEMBL7785293

SCHEMBL7785293

COc1ccc(C(N[C@H](C)c2ccc3ccccc3c2)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
ACP3 P15309 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ALPL P05186 1/20 0.33
GLA P06280 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
PLK1 P53350 1/20 0.33
HCRTR1 O43613 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL7785121 0.93 MAPKAPK2 (0.46) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7787598 0.93 MAPKAPK2 (0.43) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7784990 0.92 POLB (0.46) MAPKAPK2MEN1KMT2APOLBALDH1A1
SCHEMBL7780349 0.89 MEN1 (0.38) MAPKAPK2MEN1KMT2APOLBLMNA
SCHEMBL7787635 0.89 MEN1 (0.38) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7784925 0.89 ALDH1A1 (0.41) MAPKAPK2MEN1KMT2APOLBALDH1A1
SCHEMBL7787745 0.89 MAPKAPK2 (0.41) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7780588 0.89 MAPKAPK2 (0.38) MAPKAPK2MEN1KMT2APOLBALDH1A1
SCHEMBL7780305 0.89 KMT2A (0.38) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7787653 0.89 KMT2A (0.38) MAPKAPK2MEN1KMT2APOLBACP3

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