SCHEMBL5391026

SCHEMBL5391026

CCc1ccc(OC(C)CCOc2ccc(CCC(=O)O)c(C)c2)c(Cc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 1.00
▸ PPARD Q03181 20/20 1.00
▸ PPARA Q07869 16/20 1.00

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
SCHEMBL6054951 0.93 PPARG (0.87) PPARGPPARDPPARA
SCHEMBL6054952 0.93 PPARG (0.87) PPARGPPARDPPARA
SCHEMBL6054878 0.89 PPARG (0.80) PPARGPPARDPPARA
SCHEMBL6054876 0.89 PPARG (0.79) PPARGPPARDPPARA
SCHEMBL5989286 0.88 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL5991232 0.88 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL5989718 0.88 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL5989710 0.88 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL5402229 0.87 PPARG (0.77) PPARGPPARDPPARA
SCHEMBL5989602 0.86 PPARG (0.75) 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 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
Send feedback