SCHEMBL5991546

SCHEMBL5991546

CCCC(CCO)Oc1ccc(CC)cc1C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.61
▸ PPARD Q03181 9/20 0.61
▸ PPARA Q07869 7/20 0.52
▸ ABCB1 P08183 3/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL5989901 0.86 PPARG (0.64) PPARGPPARDPPARACCNB2CCNE2
SCHEMBL5989905 0.86 PPARG (0.64) PPARGPPARDPPARACCNB2CCNE2
SCHEMBL5992133 0.85 PPARG (0.60) PPARGPPARDPPARAABCB1CCNB2
SCHEMBL5991032 0.79 PPARD (0.77) PPARGPPARDPPARAPTGDR2
SCHEMBL5989780 0.78 PPARD (0.59) PPARGPPARDPPARAPTGDR2
SCHEMBL30785075 0.77 PPARG (0.56) PPARGPPARDPPARATP53
SCHEMBL5991233 0.77 PPARG (0.56) PPARGPPARDPPARATP53
SCHEMBL5992314 0.77 PPARG (0.77) PPARGPPARDPPARA
SCHEMBL5990570 0.77 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL5989194 0.76 PPARG (0.73) 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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