SCHEMBL5402229

SCHEMBL5402229

CCc1ccc(OCCCOc2ccc(CCC(=O)O)c(C)c2)c(Cc2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 19/20 0.77
▸ PPARD Q03181 19/20 0.77
▸ PPARA Q07869 15/20 0.77
▸ FFAR1 O14842 1/20 0.52

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
SCHEMBL5391026 0.87 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL5392662 0.86 PPARG (0.77) PPARGPPARDPPARA
SCHEMBL5387815 0.83 PPARG (0.58) PPARGPPARDPPARA
SCHEMBL5387810 0.83 PPARG (0.65) PPARGPPARDPPARA
SCHEMBL4514095 0.81 PPARG (0.62) PPARGPPARDPPARAFFAR1
SCHEMBL5394417 0.80 PPARG (0.66) PPARGPPARDPPARA
SCHEMBL5391041 0.80 PPARG (0.61) PPARGPPARDPPARA
SCHEMBL6054952 0.79 PPARG (0.87) PPARGPPARDPPARA
SCHEMBL6054951 0.79 PPARG (0.87) PPARGPPARDPPARA
SCHEMBL5394453 0.79 PPARG (0.60) PPARGPPARDPPARAFFAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007502815-A — — 2007-02-15 — — JP claimed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 — — US claimed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 — — EP claimed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 — — WO claimed
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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