SCHEMBL8768079

SCHEMBL8768079

CCOCOc1c(C(C)(C)C)cc(OCCOc2ccc(OC(C)(C)C(=O)O)cc2)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.46
PPARA Q07869 15/20 0.45
PPARD Q03181 9/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8922447 0.88 PPARA (0.51) PPARGPPARAPPARDCYP1A2CYP3A4
SCHEMBL8767368 0.88 PPARG (0.42) PPARGPPARAPPARD
SCHEMBL8923974 0.82 PPARG (0.52) PPARGPPARAPPARDMEN1CYP1A2
SCHEMBL8768660 0.78 CYP3A4 (0.39) MEN1CYP3A4KMT2A
SCHEMBL8767371 0.78 PPARG (0.40) PPARGPPARAPPARD
SCHEMBL8921601 0.77 PPARA (0.46) PPARGPPARACYP1A2CYP3A4MAPT
SCHEMBL8921956 0.77 PPARA (0.46) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL8924029 0.73 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL9234359 0.71 POLB (0.34) PPARGPPARAPPARDMAPT
SCHEMBL8923846 0.71 PPARG (0.59) 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