SCHEMBL11568564

SCHEMBL11568564

CCOC(=O)C(C)(C)Oc1ccc(CCN(C(C)=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.65
CYP1A2 P05177 3/20 0.65
CYP3A4 P08684 3/20 0.65
ABCB11 O95342 2/20 0.65
TSHR P16473 2/20 0.65
HTR2A P28223 2/20 0.65
PMP22 Q01453 2/20 0.65
OPRK1 P41145 1/20 0.51
ALDH1A1 P00352 3/20 0.45
PTGIR P43119 1/20 0.43
PPARG P37231 4/20 0.43
PPARD Q03181 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
FABP2 P12104 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 1/20 0.42
FBP1 P09467 3/20 0.42

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
SCHEMBL11569474 0.89 CYP1A2 (0.68) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11570810 0.86 PPARA (0.59) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11571618 0.85 PPARA (0.65) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL3953607 0.81 PPARA (1.00) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL2356 0.81 PPARA (1.00) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11074943 0.80 PPARA (0.86) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11449590 0.80 PPARA (0.71) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL11184809 0.79 PPARA (0.97) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL11187010 0.79 PPARA (0.97) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL3345 0.79 PPARA (0.97) PPARACYP1A2CYP3A4ABCB11TSHR

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-4151303-A Phenoxyalkylcarboxylic acid compounds and serum-lipid and triglyceride depressing therapeutic compositions BOEHRINGER MANNHEIM GMBH (DE) 1979-04-24 US disclosed