SCHEMBL5326469

SCHEMBL5326469

CCOC(=O)CC(C)c1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.50
PPARG P37231 6/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 4/20 0.47
ABCB11 O95342 1/20 0.47
HTR2A P28223 1/20 0.47
PMP22 Q01453 1/20 0.47
PPARD Q03181 1/20 0.46
FABP2 P12104 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
ADRB3 P13945 3/20 0.42
FBP1 P09467 1/20 0.41

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
SCHEMBL5323181 0.86 PPARA (0.47) PPARAPPARGMEN1KMT2ACYP1A2
SCHEMBL5325047 0.85 PPARA (0.55) PPARAPPARGMEN1KMT2ACYP1A2
SCHEMBL24936089 0.84 TSHR (0.58) PPARAPPARGMEN1KMT2ACYP1A2
SCHEMBL12836581 0.83 POLB (0.58) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL12895107 0.83 POLB (0.58) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL12895106 0.83 POLB (0.58) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL5325698 0.82 PPARA (0.43) PPARAPPARGMEN1KMT2ACYP1A2
SCHEMBL5322615 0.81 PPARA (0.54) PPARAPPARGMEN1KMT2ACYP1A2
SCHEMBL5321702 0.80 PPARA (0.55) PPARAPPARGMEN1KMT2ACYP1A2
SCHEMBL16509661 0.79 ALOX15 (0.55) MEN1KMT2AMAPTTSHRLTB4R

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
WO-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed