SCHEMBL5989780

SCHEMBL5989780

CCCC(CCSc1ccc(OCC(=O)O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 19/20 0.59
▸ PPARG P37231 9/20 0.59
▸ PPARA Q07869 9/20 0.52
▸ PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL5990243 0.90 PPARD (0.58) PPARDPPARGPPARAPTGDR2
SCHEMBL5991032 0.87 PPARD (0.77) PPARDPPARGPPARAPTGDR2
SCHEMBL5992314 0.86 PPARG (0.77) PPARDPPARGPPARA
SCHEMBL5989611 0.78 PPARG (0.62) PPARDPPARGPPARAPTGDR2
SCHEMBL5991546 0.78 PPARG (0.61) PPARDPPARGPPARAPTGDR2
SCHEMBL5989089 0.78 PPARG (0.77) PPARDPPARGPPARA
SCHEMBL5989194 0.77 PPARG (0.73) PPARDPPARGPPARA
SCHEMBL5990843 0.77 PPARD (0.48) PPARDPPARGPPARAPTGDR2
SCHEMBL5990908 0.76 PPARD (0.52) PPARDPPARGPPARA
SCHEMBL5989719 0.76 PPARG (0.76) 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
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