SCHEMBL4754491

SCHEMBL4754491

Cc1cc(C(CC=O)c2nc(-c3ccc(Cl)cc3O)oc2C(C)C)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL4754503 0.94 PPARG (0.41) PPARGPPARDPPARAKDM4EMEN1
SCHEMBL4754502 0.91 PPARG (0.36) PPARGPPARDPPARA
SCHEMBL4754493 0.81 PPARG (0.35) PPARGPPARDPPARAKDM4EMEN1
SCHEMBL4754147 0.76 PPARG (0.41) PPARGPPARDPPARAKDM4EMEN1
SCHEMBL4754514 0.73 PPARG (0.36) PPARGPPARDPPARAALDH1A1
SCHEMBL4327841 0.72 ERN1 (0.36) PPARGPPARDPPARAKDM4EMEN1
SCHEMBL2463427 0.71 PPARG (0.46) PPARGPPARDPPARAKDM4EMEN1
SCHEMBL2463943 0.69 PPARG (0.48) PPARGPPARDPPARAKDM4EMEN1
SCHEMBL4754569 0.65 PPARG (0.40) PPARGPPARDPPARAKDM4EMEN1
SCHEMBL2466991 0.65 PPARG (0.44) PPARGPPARDPPARAKDM4ENPC1

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