SCHEMBL5667679

SCHEMBL5667679

CCOC(=O)COc1ccc(OCCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.54
PPARA Q07869 5/20 0.52
PPARG P37231 3/20 0.52
ESR1 P03372 1/20 0.45

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
SCHEMBL5669862 0.95 PPARD (0.53) PPARDPPARAPPARGESR1
SCHEMBL5673680 0.88 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL5668123 0.86 PPARD (0.51) PPARDPPARAPPARGESR1
SCHEMBL1550306 0.86 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL5669274 0.85 PPARD (0.65) PPARDPPARAPPARG
SCHEMBL1548974 0.83 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL5667677 0.82 PPARD (0.51) PPARDPPARAESR1
SCHEMBL1550141 0.82 PPARD (0.53) PPARDPPARAPPARGESR1
SCHEMBL5669982 0.81 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL1549441 0.81 PPARA (0.42) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed