SCHEMBL4755260

SCHEMBL4755260

CCOC(=O)COc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3O)oc2C(C)C)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
ESR1 P03372 2/20 0.38
POLB P06746 1/20 0.38
ESR2 Q92731 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 4/20 0.37
ANO1 Q5XXA6 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL12732399 0.93 PPARG (0.49) PPARGPPARDPPARAPOLBMAPT
SCHEMBL2460899 0.91 PPARD (0.59) PPARGPPARDPPARAMAPTANO1
SCHEMBL2467524 0.88 PPARG (0.46) PPARGPPARDPPARAMAPTKDM4E
SCHEMBL24658330 0.88 PPARG (0.48) PPARGPPARDPPARAMAPTKDM4E
SCHEMBL30003514 0.88 PPARG (0.48) PPARGPPARDPPARAMAPTKDM4E
SCHEMBL12732396 0.87 PPARG (0.57) PPARGPPARDPPARAPOLBMAPT
SCHEMBL20815372 0.86 PPARD (0.47) PPARGPPARDPPARAPOLBMAPT
SCHEMBL2460886 0.86 PPARA (0.43) PPARGPPARDPPARAPOLBMAPT
SCHEMBL2468031 0.86 PPARG (0.56) PPARGPPARDPPARAESR1POLB
SCHEMBL4755262 0.85 PPARG (0.46) PPARGPPARDPPARAPOLBMAPT

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