SCHEMBL8767368

SCHEMBL8767368

CCOCOc1c(C(C)(C)C)cc(SCCOc2ccc(OC(C)(C)C(=O)O)cc2)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.42
PPARA Q07869 15/20 0.40
PPARD Q03181 10/20 0.40

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
SCHEMBL8921601 0.90 PPARA (0.46) PPARGPPARA
SCHEMBL8768079 0.88 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL8767310 0.84 PPARA (0.47) PPARGPPARAPPARD
SCHEMBL8767371 0.84 PPARG (0.40) PPARGPPARAPPARD
SCHEMBL9234359 0.82 POLB (0.34) PPARGPPARAPPARD
Tert-Butylamine SCHEMBL8924062 0.81 PPARA (0.45) PPARGPPARAPPARD
SCHEMBL9234356 0.78 MAPT (0.34) PPARA
SCHEMBL8922447 0.77 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL8768656 0.76 VCAM1 (0.36)
SCHEMBL8768773 0.72 PPARA (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621255-B1 Substituted phenoxy-isobutyric acids and esters ADIR (FR) 1997-08-20 EP disclosed
US-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US disclosed
EP-0621255-A1 Substituted phenoxy-isobutyric acids and esters ADIR ET COMPAGNIE (FR) 1994-10-26 EP disclosed