SCHEMBL813009

SCHEMBL813009

CC(=O)Oc1ccccc1C(=O)/C=C/c1ccc(C(=O)OC(C)C)cc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.50
HSP90AA1 P07900 1/20 0.44
CCR6 P51684 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.40
MAOB P27338 6/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAOA P21397 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39

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
SCHEMBL498923 0.89 AR (0.52) ARHSP90AA1CCR6NPC1RAB9A
SCHEMBL498721 0.86 AR (0.55) ARMEN1NPC1RAB9AKMT2A
SCHEMBL4394269 0.77 MAPT (0.46) ARMEN1NPC1RAB9AKMT2A
SCHEMBL498811 0.77 MAPT (0.46) ARMEN1NPC1RAB9AKMT2A
SCHEMBL498913 0.76 TYR (0.51) ARMEN1NPC1RAB9AKMT2A
SCHEMBL498847 0.76 MAPT (0.51) MEN1NPC1RAB9AKMT2AABCG2
SCHEMBL499474 0.75 AR (0.58) ARABCG2MAOBMAOAALDH1A1
SCHEMBL499228 0.74 ABCB1 (0.43) ARHSP90AA1CCR6MEN1KMT2A
SCHEMBL1868204 0.72 KDM4E (0.63) MEN1NPC1KMT2AKDM4EHSD17B10
SCHEMBL7195790 0.70 AR (0.57) ARABCG2MAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058308-B2 Substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof GENFIT (FR) 2011-11-15 US disclosed
US-7632870-B2 Composition based on substituted 1,3-diphenylprop-2-en-1-one derivatives, preparation and uses thereof GENFIT (FR) 2009-12-15 US disclosed
EP-1525177-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES AND PREPARATION AND USES THEREOF Genfit (FR) 2005-04-27 EP disclosed
WO-2004005233-A1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES AND PREPARATION AND USES THEREOF GENFIT (FR) 2004-01-15 WO disclosed