SCHEMBL7787745

SCHEMBL7787745

COc1ccc(C(N[C@H](C)c2ccc(C)cc2)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
S1PR3 Q99500 1/20 0.36
CNR1 P21554 3/20 0.35
ACP3 P15309 2/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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 0.96 MAPKAPK2 (0.43) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7785121 0.94 MAPKAPK2 (0.46) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7787694 0.92 KMT2A (0.41) MAPKAPK2MEN1KMT2APOLBCNR1
SCHEMBL7784990 0.92 POLB (0.46) MAPKAPK2MEN1KMT2APOLBRAPGEF4
SCHEMBL7787635 0.91 MEN1 (0.38) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7785293 0.89 MAPKAPK2 (0.40) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7787853 0.89 KMT2A (0.38) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7780349 0.89 MEN1 (0.38) MAPKAPK2MEN1KMT2APOLBS1PR3
SCHEMBL7784926 0.89 KMT2A (0.38) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7784925 0.89 ALDH1A1 (0.41) MAPKAPK2MEN1KMT2APOLBALDH1A1

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 1 patent. 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