SCHEMBL4754079

SCHEMBL4754079

CC(=CCc1nc(-c2ccc(Cl)cc2Cl)oc1C(C)C)c1ccc(OCC(=O)O)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.62
PPARG P37231 5/20 0.62
PPARA Q07869 5/20 0.62
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.39
NR1H4 Q96RI1 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1765901 0.89 PPARA (0.50) PPARDPPARGPPARATSHRNPC1
SCHEMBL1765952 0.87 PPARA (0.54) PPARDPPARGPPARATSHRNPC1
SCHEMBL1765854 0.87 PPARD (0.62) PPARDPPARGPPARATDP1TSHR
SCHEMBL2463908 0.87 PPARD (0.62) PPARDPPARGPPARATDP1TSHR
SCHEMBL2460872 0.85 PPARD (0.64) PPARDPPARGPPARATDP1TSHR
SCHEMBL1765936 0.85 PPARD (0.68) PPARDPPARGPPARATDP1TSHR
SCHEMBL1765900 0.84 PPARD (0.66) PPARDPPARGPPARATDP1TSHR
SCHEMBL4755232 0.83 PPARA (0.46) PPARDPPARGPPARATSHRNPC1
SCHEMBL12732407 0.82 PPARG (0.54) PPARDPPARGPPARATDP1TSHR
SCHEMBL12732423 0.80 PPARA (0.55) PPARDPPARGPPARATDP1TSHR

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-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed