SCHEMBL5667337

SCHEMBL5667337

Cc1cc(SCCCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.60
PPARA Q07869 8/20 0.59
PPARG P37231 2/20 0.59

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
SCHEMBL5669729 0.95 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL5669274 0.87 PPARD (0.65) PPARDPPARAPPARG
SCHEMBL5669664 0.86 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL5669961 0.84 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL3533093 0.81 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL1375925 0.80 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL5507055 0.79 PPARD (0.74) PPARDPPARAPPARG
SCHEMBL377375 0.79 PPARD (0.74) PPARDPPARA
SCHEMBL1549661 0.79 PPARD (0.71) PPARDPPARA
SCHEMBL12646846 0.79 PPARD (0.80) 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