SCHEMBL7780349

SCHEMBL7780349

COc1ccc(C(NC(C)c2cccc(Cl)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 3/20 0.38
GSK3B P49841 2/20 0.37
GSK3A P49840 1/20 0.37
S1PR3 Q99500 1/20 0.37
CASR P41180 3/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
FADS1 O60427 2/20 0.33
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PGR P06401 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
SCHEMBL7787598 0.93 MAPKAPK2 (0.43) MEN1KMT2APOLBMAPKAPK2GSK3B
SCHEMBL7784990 0.92 POLB (0.46) MEN1KMT2APOLBMAPKAPK2CASR
SCHEMBL7785121 0.91 MAPKAPK2 (0.46) MEN1KMT2APOLBMAPKAPK2GSK3B
SCHEMBL7780305 0.90 KMT2A (0.38) MEN1KMT2APOLBMAPKAPK2LMNA
SCHEMBL7785270 0.90 KMT2A (0.38) MEN1KMT2APOLBMAPKAPK2LMNA
SCHEMBL7787653 0.90 KMT2A (0.38) MEN1KMT2APOLBMAPKAPK2LMNA
SCHEMBL7787635 0.89 MEN1 (0.38) MEN1KMT2APOLBMAPKAPK2CASR
SCHEMBL7785293 0.89 MAPKAPK2 (0.40) MEN1KMT2APOLBMAPKAPK2LMNA
SCHEMBL7784925 0.89 ALDH1A1 (0.41) MEN1KMT2APOLBMAPKAPK2LMNA
SCHEMBL7787745 0.89 MAPKAPK2 (0.41) MEN1KMT2APOLBMAPKAPK2S1PR3

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