SCHEMBL4754493

SCHEMBL4754493

CC(=O)C(c1ccc(O)c(C)c1)c1nc(-c2ccc(Cl)cc2O)oc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
MAPT P10636 6/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
TP53 P04637 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4754147 0.94 PPARG (0.41) PPARGPPARDPPARAMAPTMEN1
SCHEMBL4754514 0.91 PPARG (0.36) PPARGPPARDPPARAALDH1A1S1PR1
SCHEMBL4754569 0.82 PPARG (0.40) PPARGPPARDPPARAMAPTMEN1
SCHEMBL4754491 0.81 PPARG (0.36) PPARGPPARDPPARAMAPTMEN1
SCHEMBL4754503 0.76 PPARG (0.41) PPARGPPARDPPARAMAPTMEN1
SCHEMBL4754502 0.73 PPARG (0.36) PPARGPPARDPPARA
SCHEMBL2463427 0.73 PPARG (0.46) PPARGPPARDPPARAMAPTMEN1
SCHEMBL4755267 0.72 PPARG (0.42) PPARGPPARDPPARAMAPTTP53
SCHEMBL4327841 0.69 ERN1 (0.36) PPARGPPARDPPARAMAPTMEN1
SCHEMBL2463943 0.69 PPARG (0.48) PPARGPPARDPPARAMAPTMEN1

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