SCHEMBL757997

SCHEMBL757997

CCOC(=O)C(=O)c1ccc(O)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.72
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
RAB9A P51151 1/20 0.70
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
SLC22A6 Q4U2R8 1/20 0.60
SLC22A8 Q8TCC7 1/20 0.60
HTT P42858 1/20 0.58
CYP1A2 P05177 1/20 0.57
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
BLM P54132 1/20 0.57
HDAC6 Q9UBN7 1/20 0.56
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
MAOB P27338 1/20 0.52
GAA P10253 2/20 0.51
PTPN7 P35236 1/20 0.50
DUSP3 P51452 1/20 0.50

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
SCHEMBL760141 0.88 PDE4B (0.56) HSD17B2MEN1KMT2ARAB9AKDM4E
SCHEMBL2124837 0.87 MAPK1 (0.58) HSD17B2MEN1KMT2ARAB9APOLB
SCHEMBL155638 0.84 HSD17B2 (1.00) HSD17B2MEN1KMT2ARAB9AKDM4E
SCHEMBL13074870 0.83 CA12 (0.69) HSD17B2MEN1KMT2ARAB9AKDM4E
SCHEMBL16068652 0.83 HSD17B2 (0.50) HSD17B2MEN1KMT2ARAB9AKDM4E
SCHEMBL16068855 0.83 HSD17B2 (0.50) HSD17B2MEN1KMT2ARAB9AKDM4E
SCHEMBL15289000 0.83 MEN1 (1.00) HSD17B2MEN1KMT2ARAB9AKDM4E
SCHEMBL29532454 0.83 MEN1 (1.00) HSD17B2MEN1KMT2ARAB9AKDM4E
Alcohol SCHEMBL27898607 0.81 HSD17B2 (0.94) HSD17B2MEN1KMT2ARAB9AKDM4E
SCHEMBL3278089 0.81 MEN1 (0.74) HSD17B2MEN1KMT2ARAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217093-B1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2012-03-21 EP claimed
EP-2217093-A1 FLAVOUR-MODULATING COMPOUNDS Givaudan SA (CH) 2010-08-18 EP claimed
WO-2009055953-A1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2009-05-07 WO claimed
EP-2217093-B1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2012-03-21 EP disclosed
EP-2217093-B1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2012-03-21 EP disclosed
WO-2009055953-A1 FLAVOUR-MODULATING COMPOUNDS GIVAUDAN SA (CH) 2009-05-07 WO disclosed
US-5070087-A Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl) aminoheterocyclics as cardiovascular, anthihistaminic, antisecretory and antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1991-12-03 US disclosed