SCHEMBL4755232

SCHEMBL4755232

CCOC(=O)C(C)(C)Oc1ccc(C(C)=CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.46
PPARG P37231 6/20 0.46
PPARD Q03181 5/20 0.46
TSHR P16473 3/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FBP1 P09467 4/20 0.39
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
KDM4E B2RXH2 2/20 0.34
PDE4B Q07343 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL1765952 0.92 PPARA (0.54) PPARAPPARGPPARDTSHRMAPT
SCHEMBL2468027 0.86 PPARA (0.50) PPARAPPARGPPARDTSHRMAPT
SCHEMBL2466177 0.86 PPARA (0.47) PPARAPPARGPPARDTSHRMAPT
SCHEMBL1765901 0.86 PPARA (0.50) PPARAPPARGPPARDTSHRMAPT
SCHEMBL2466219 0.85 PPARA (0.49) PPARAPPARGPPARDTSHRMAPT
SCHEMBL4754079 0.83 PPARD (0.62) PPARAPPARGPPARDTSHRMAPT
SCHEMBL2463966 0.82 PPARA (0.51) PPARAPPARGPPARDTSHRMAPT
SCHEMBL2460886 0.80 PPARA (0.43) PPARAPPARGPPARDTSHRMAPT
SCHEMBL12732421 0.79 PPARA (0.48) PPARAPPARGPPARDTSHRMAPT
SCHEMBL12732408 0.78 PPARA (0.51) PPARAPPARGPPARDTSHRMAPT

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