SCHEMBL5699136

SCHEMBL5699136

CCOC(=O)CCc1ccc(Oc2cc(Oc3ccc(C(F)(F)F)cc3Br)ccc2C)cc1C.Cc1cc(Oc2cc(Oc3ccc(C(F)(F)F)cc3Oc3ccccc3)ccc2C)ccc1CCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.57
PPARG P37231 13/20 0.57
PPARA Q07869 13/20 0.57
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
THRB P10828 2/20 0.37
THRA P10827 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4520819 0.91 PPARD (0.45) PPARDPPARGPPARAFFAR1THRB
SCHEMBL4516544 0.89 PPARD (0.69) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4517393 0.88 PPARD (0.44) PPARDPPARGPPARAFFAR1CYP1A2
SCHEMBL4512818 0.87 PPARD (0.67) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4511257 0.84 PPARG (0.56) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4516190 0.83 PPARD (0.70) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4526243 0.83 PPARD (0.70) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL4517797 0.82 PPARD (0.44) PPARDPPARGPPARAFFAR1CYP1A2
SCHEMBL4511611 0.81 PPARG (0.43) PPARDPPARGPPARAFFAR1CYP1A2
SCHEMBL4526047 0.81 PPARG (0.42) PPARDPPARGPPARAFFAR1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675814-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-07-05 EP disclosed
WO-2005037763-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-28 WO disclosed