SCHEMBL11566993

SCHEMBL11566993

CC(Oc1ccccc1)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.44
SRC P12931 1/20 0.44
PPARG P37231 7/20 0.43
PPARA Q07869 4/20 0.43
ELANE P08246 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
FABP2 P12104 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CES2 O00748 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
SCHEMBL11866869 0.92 CES1 (0.47) CES1SRCPPARGPPARAELANE
SCHEMBL5512518 0.86 PPARG (0.49) PPARGPPARAELANETSHRALDH1A1
SCHEMBL27474029 0.81 CES1 (0.56) CES1SRCELANETDP1TSHR
SCHEMBL27817560 0.81 PPARG (0.45) PPARGPPARAELANETSHRALDH1A1
SCHEMBL2142613 0.81 PPARG (0.48) CES1SRCPPARGPPARAELANE
SCHEMBL11512906 0.81 CES1 (0.47) CES1SRCPPARGELANETDP1
SCHEMBL27908747 0.79 CES1 (0.46) CES1SRCPPARGPPARAELANE
SCHEMBL11513416 0.79 SRC (0.50) CES1SRCPPARGELANETDP1
SCHEMBL9736278 0.79 MAPT (0.47) PPARGPPARAALDH1A1HSD17B10MAPT
SCHEMBL2588222 0.78 PPARG (0.36) PPARGPPARAELANEALDH1A1FABP2

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-4179515-A HYPOLIPEMIC, HYPOCHOLESTEROLEMIC, CHOLAGOGIC ORCHIMED S. A. (CH) 1979-12-18 US disclosed