SCHEMBL5989831

SCHEMBL5989831

CCc1ccc(OC(C)CCOS(C)(=O)=O)c(C(=O)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 15/20 0.63
▸ PPARD Q03181 15/20 0.63
▸ PPARA Q07869 13/20 0.63
▸ TP53 P04637 1/20 0.39
▸ CCNB2 O95067 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38

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
SCHEMBL5989827 1.00 PPARG (0.63) PPARGPPARDPPARATP53CCNB2
SCHEMBL5992887 1.00 PPARG (0.63) PPARGPPARDPPARATP53CCNB2
SCHEMBL5997111 0.89 PPARG (0.55) PPARGPPARDPPARATP53
SCHEMBL5992133 0.88 PPARG (0.60) PPARGPPARDPPARATP53CCNB2
SCHEMBL5990495 0.85 PPARG (0.65) PPARGPPARDPPARACCNB2CCNE2
SCHEMBL5989901 0.84 PPARG (0.64) PPARGPPARDPPARACCNB2CCNE2
SCHEMBL5989905 0.84 PPARG (0.64) PPARGPPARDPPARACCNB2CCNE2
SCHEMBL5990588 0.84 PPARG (0.54) PPARGPPARDPPARA
SCHEMBL5990990 0.84 PPARG (0.46) PPARGPPARDPPARACCNB2CCNE2
SCHEMBL5989773 0.83 PPARG (0.60) PPARGPPARDPPARATP53

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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