SCHEMBL5991680

SCHEMBL5991680

CCc1ccc(O[C@@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c([S@+]([O-])c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 0.72
▸ PPARD Q03181 20/20 0.72
▸ PPARA Q07869 17/20 0.72

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
SCHEMBL5991677 1.00 PPARG (0.72) PPARGPPARDPPARA
SCHEMBL5992147 1.00 PPARG (0.72) PPARGPPARDPPARA
SCHEMBL5992684 0.93 PPARG (0.62) PPARGPPARDPPARA
SCHEMBL6054925 0.93 PPARG (0.62) PPARGPPARDPPARA
SCHEMBL5992681 0.93 PPARG (0.62) PPARGPPARDPPARA
SCHEMBL6054951 0.84 PPARG (0.87) PPARGPPARDPPARA
SCHEMBL5991232 0.84 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL6054952 0.84 PPARG (0.87) PPARGPPARDPPARA
SCHEMBL5989718 0.84 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL5989710 0.84 PPARG (1.00) PPARGPPARDPPARA

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