SCHEMBL4748565

SCHEMBL4748565

OCc1ccc(OCCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.60
PPARA Q07869 4/20 0.60
FFAR1 O14842 3/20 0.43
PPARD Q03181 3/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PTPN1 P18031 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SMPD1 P17405 1/20 0.38

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
SCHEMBL4748030 0.89 PPARG (0.57) PPARGPPARAFFAR1PPARDS1PR1
SCHEMBL4747337 0.88 FFAR1 (0.53) PPARGPPARAFFAR1PPARDSPHK2
SCHEMBL4748452 0.85 FFAR1 (0.46) PPARGPPARAFFAR1HRH3
SCHEMBL4748088 0.84 FFAR1 (0.59) PPARGPPARAFFAR1PPARDHRH3
SCHEMBL4744208 0.83 PPARG (0.59) PPARGPPARAFFAR1PPARDHRH3
SCHEMBL4905721 0.79 PPARG (0.49) PPARGPPARAS1PR1S1PR3PTPN1
SCHEMBL5901540 0.79 PPARG (0.46) PPARGPPARAS1PR1S1PR3
SCHEMBL4746266 0.77 PPARG (0.53) PPARGPPARAFFAR1S1PR1HRH3
SCHEMBL4744017 0.77 PPARG (0.53) PPARGPPARAFFAR1S1PR1HRH3
SCHEMBL4746718 0.77 FFAR1 (0.50) PPARGPPARAFFAR1PPARDSMPD1

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-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed