SCHEMBL14399656

SCHEMBL14399656

Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)OC(C)(C)C)c(CCO)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.61
PPARA Q07869 19/20 0.61
PPARD Q03181 5/20 0.61

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
SCHEMBL4897463 0.94 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL4887690 0.91 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4885615 0.91 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4889169 0.90 PPARG (0.60) PPARGPPARAPPARD
Acetic Acid SCHEMBL4896545 0.90 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL4894822 0.90 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL4889154 0.89 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL14154285 0.89 PPARG (0.74) PPARGPPARAPPARD
SCHEMBL4893746 0.89 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4897423 0.88 PPARG (0.63) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed