SCHEMBL5990033

SCHEMBL5990033

CCOC(=O)COc1ccc(CCC(C)Oc2ccc(CC)cc2C(=O)c2ccccc2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 14/20 0.57
▸ PPARD Q03181 14/20 0.57
▸ PPARA Q07869 12/20 0.57
▸ HPGD P15428 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ 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
SCHEMBL5989611 0.92 PPARG (0.62) PPARGPPARDPPARAFFAR4PTGDR2
Bicarbonate SCHEMBL6054872 0.88 PPARG (0.58) PPARGPPARDPPARAFFAR4PTGDR2
Bicarbonate SCHEMBL6054875 0.88 PPARG (0.58) PPARGPPARDPPARAFFAR4PTGDR2
SCHEMBL5992345 0.84 PPARG (0.71) PPARGPPARDPPARAHPGD
SCHEMBL5989089 0.80 PPARG (0.77) PPARGPPARDPPARA
SCHEMBL5990243 0.79 PPARD (0.58) PPARGPPARDPPARAPTGDR2
SCHEMBL5989905 0.78 PPARG (0.64) PPARGPPARDPPARA
SCHEMBL5989901 0.78 PPARG (0.64) PPARGPPARDPPARA
SCHEMBL5990495 0.76 PPARG (0.65) PPARGPPARDPPARA
SCHEMBL5989779 0.75 PPARG (0.67) 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 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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