SCHEMBL4755267

SCHEMBL4755267

C=CCOc1ccc(C(C(C)=O)c2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
PPARD Q03181 3/20 0.42
TSHR P16473 3/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX15 P16050 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CASR P41180 1/20 0.34
MAPT P10636 2/20 0.33
FFAR1 O14842 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4754569 0.84 PPARG (0.40) PPARGPPARAPPARDTSHRGAA
SCHEMBL2465292 0.78 PPARG (0.50) PPARGPPARAPPARDTSHRGAA
SCHEMBL4754147 0.78 PPARG (0.41) PPARGPPARAPPARDTSHRGAA
SCHEMBL4754493 0.72 PPARG (0.35) PPARGPPARAPPARDGAAHSD17B10
SCHEMBL4031523 0.71 PPARG (0.68) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL4754514 0.70 PPARG (0.36) PPARGPPARAPPARDTSHRHSD17B10
SCHEMBL4754503 0.67 PPARG (0.41) PPARGPPARAPPARDTSHRGAA
SCHEMBL4327847 0.65 NPC1 (0.42) PPARGPPARAPPARDTSHRGAA
SCHEMBL4324890 0.65 PPARG (0.50) PPARGPPARAPPARDTSHRHSD17B10
SCHEMBL14275899 0.64 CYP2D6 (0.51) NPC1RAB9ASMN1; SMN2TP53CASR

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