SCHEMBL4891449

SCHEMBL4891449

O=C(O)C(Cc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1)n1ccnn1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.56
FFAR4 Q5NUL3 3/20 0.56
PPARG P37231 3/20 0.49
PPARA Q07869 2/20 0.49
PPARD Q03181 1/20 0.49
ALKBH1 Q13686 1/20 0.44
MAOB P27338 1/20 0.42

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
SCHEMBL4882025 0.94 PPARG (0.53) FFAR1FFAR4PPARGPPARAPPARD
SCHEMBL9615672 0.81 HSD17B10 (0.57) PPARG
SCHEMBL4739519 0.74 FFAR1 (0.57) FFAR1FFAR4PPARGPPARAPPARD
SCHEMBL1745467 0.73 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL6239573 0.72 FFAR1 (0.76) FFAR1FFAR4
SCHEMBL9615760 0.72 PPARG (0.51) PPARGPPARA
SCHEMBL9491438 0.71 FFAR1 (0.68) FFAR1FFAR4MAOB
SCHEMBL5375802 0.71 PPARA (0.73) FFAR1FFAR4PPARGPPARAPPARD
SCHEMBL1745006 0.71 FFAR1 (0.73) FFAR1FFAR4PPARGPPARD
SCHEMBL1746424 0.71 FFAR1 (0.62) FFAR1FFAR4PPARGPPARA

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-1893582-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-03-05 EP disclosed
WO-2006127503-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE IN TREATING METABOLIC DISORDERS AMGEN INC (US) 2006-11-30 WO disclosed