SCHEMBL5992345

SCHEMBL5992345

CCOC(=O)COc1ccc(OCCC(C)Oc2ccc(CC)cc2C(=O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 18/20 0.71
▸ PPARD Q03181 18/20 0.71
▸ PPARA Q07869 16/20 0.71
▸ HPGD P15428 1/20 0.53
▸ ESR1 P03372 1/20 0.45

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
SCHEMBL5989804 0.91 PPARG (0.76) PPARGPPARDPPARA
SCHEMBL6054868 0.88 PPARG (0.78) PPARGPPARDPPARA
SCHEMBL6054863 0.88 PPARG (0.78) PPARGPPARDPPARA
SCHEMBL5990739 0.86 PPARG (0.67) PPARGPPARDPPARA
SCHEMBL5402959 0.85 PPARG (0.80) PPARGPPARDPPARA
SCHEMBL5402967 0.85 PPARG (0.80) PPARGPPARDPPARA
SCHEMBL5989779 0.85 PPARG (0.67) PPARGPPARDPPARA
SCHEMBL5989089 0.84 PPARG (0.77) PPARGPPARDPPARA
SCHEMBL5990033 0.84 PPARG (0.57) PPARGPPARDPPARAHPGD
SCHEMBL5402182 0.83 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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