SCHEMBL7780588

SCHEMBL7780588

COc1ccc(C(N[C@H](C)c2cccc3ccccc23)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 1/20 0.36
KRAS P01116 2/20 0.35
NPBWR1 P48145 2/20 0.35
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
CDC25B P30305 2/20 0.34
RAB9A P51151 1/20 0.33
SOS1 Q07889 2/20 0.33
LMNA P02545 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
SCHEMBL7785002 0.93 MAPKAPK2 (0.36) MAPKAPK2ALDH1A1
SCHEMBL7787799 0.91 S1PR3 (0.35) MAPKAPK2POLB
SCHEMBL7780418 0.91 MAPKAPK2 (0.36) MAPKAPK2MEN1KMT2APOLBALDH1A1
SCHEMBL7785671 0.91 IDH1 (0.35) MAPKAPK2POLBMAPT
SCHEMBL7785293 0.89 MAPKAPK2 (0.40) MAPKAPK2MEN1KMT2APOLBGAA
SCHEMBL7785121 0.89 MAPKAPK2 (0.46) MAPKAPK2MEN1KMT2APOLBGAA
SCHEMBL7787598 0.88 MAPKAPK2 (0.43) MAPKAPK2MEN1KMT2APOLBGAA
SCHEMBL7789161 0.86 MEN1 (0.40) MAPKAPK2MEN1KMT2APOLBKRAS
SCHEMBL7789329 0.86 MEN1 (0.40) MAPKAPK2MEN1KMT2APOLBKRAS
SCHEMBL7784990 0.86 POLB (0.46) MAPKAPK2MEN1KMT2APOLBGAA

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