SCHEMBL5990490

SCHEMBL5990490

CCc1cc(SCCC(C)Oc2ccc(C(F)(F)F)cc2Oc2ccccc2)ccc1OCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.59
PPARG P37231 10/20 0.59
PPARA Q07869 10/20 0.59
PTGDR2 Q9Y5Y4 3/20 0.46

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
SCHEMBL5990488 1.00 PPARD (0.59) PPARDPPARGPPARAPTGDR2
SCHEMBL5990567 0.92 PPARD (0.56) PPARDPPARGPPARAPTGDR2
SCHEMBL5990571 0.92 PPARD (0.56) PPARDPPARGPPARAPTGDR2
SCHEMBL5990514 0.90 PPARD (0.60) PPARDPPARGPPARA
SCHEMBL5990508 0.90 PPARD (0.60) PPARDPPARGPPARA
SCHEMBL5988781 0.87 PPARG (0.67) PPARDPPARGPPARA
SCHEMBL5988776 0.87 PPARG (0.67) PPARDPPARGPPARA
SCHEMBL5989374 0.84 PPARD (0.55) PPARDPPARGPPARA
SCHEMBL5989365 0.84 PPARD (0.55) PPARDPPARGPPARA
SCHEMBL5989235 0.84 PPARD (0.56) PPARDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed