SCHEMBL5990243

SCHEMBL5990243

CCc1ccc(OC(C)CCSc2ccc(OCC(=O)O)c(C)c2)c(C(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 19/20 0.58
▸ PPARG P37231 14/20 0.58
▸ PPARA Q07869 13/20 0.58
▸ PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL5989780 0.90 PPARD (0.59) PPARDPPARGPPARAPTGDR2
SCHEMBL5990843 0.87 PPARD (0.48) PPARDPPARGPPARAPTGDR2
SCHEMBL5989611 0.87 PPARG (0.62) PPARDPPARGPPARAPTGDR2
SCHEMBL5989089 0.86 PPARG (0.77) PPARDPPARGPPARA
SCHEMBL5990908 0.86 PPARD (0.52) PPARDPPARGPPARA
SCHEMBL5989719 0.86 PPARG (0.76) PPARDPPARGPPARA
SCHEMBL5989714 0.86 PPARG (0.54) PPARDPPARGPPARA
Bicarbonate SCHEMBL6054872 0.84 PPARG (0.58) PPARDPPARGPPARAPTGDR2
Bicarbonate SCHEMBL6054875 0.84 PPARG (0.58) PPARDPPARGPPARAPTGDR2
SCHEMBL5990651 0.83 PPARG (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 — — US claimed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 — — US disclosed
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