SCHEMBL5991879

SCHEMBL5991879

C[C@@H](CCOc1cccc(CCC(=O)O)c1)Oc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.75
PPARD Q03181 16/20 0.75
PPARA Q07869 15/20 0.75
FFAR1 O14842 4/20 0.48
FFAR4 Q5NUL3 2/20 0.48

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
SCHEMBL5991886 1.00 PPARG (0.75) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL5411420 0.91 PPARG (0.77) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL5411425 0.91 PPARG (0.77) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL5988827 0.90 PPARG (0.67) PPARGPPARDPPARA
SCHEMBL5988824 0.90 PPARG (0.67) PPARGPPARDPPARA
SCHEMBL5990106 0.89 PPARG (0.73) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL5990103 0.89 PPARG (0.73) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL5991590 0.88 PPARG (0.67) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL5991581 0.88 PPARG (0.67) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL5989723 0.87 PPARG (0.73) PPARGPPARDPPARAFFAR1FFAR4

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