SCHEMBL4882025

SCHEMBL4882025

O=C(O)C(Cc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1)n1ccnn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.53
PPARA Q07869 6/20 0.53
PPARD Q03181 3/20 0.53
FFAR1 O14842 6/20 0.51
FFAR4 Q5NUL3 3/20 0.51
HRH3 Q9Y5N1 1/20 0.45
LTA4H P09960 2/20 0.44
LAP3 P28838 1/20 0.44
MCL1 Q07820 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
SCHEMBL4891449 0.94 FFAR1 (0.56) PPARGPPARAPPARDFFAR1FFAR4
SCHEMBL9615672 0.82 HSD17B10 (0.57) PPARG
SCHEMBL9615760 0.76 PPARG (0.51) PPARGPPARA
SCHEMBL14210013 0.70 PPARA (0.68) PPARGPPARAPPARDFFAR1FFAR4
SCHEMBL891493 0.70 FFAR1 (0.69) PPARGFFAR1FFAR4HRH3LTA4H
SCHEMBL4481252 0.69 ALDH1A1 (0.74) PPARGPPARAPPARD
SCHEMBL13919544 0.69 ALDH1A1 (0.74) PPARGPPARAPPARD
SCHEMBL7801265 0.69 PPARA (0.70) PPARGPPARAPPARDFFAR1FFAR4
SCHEMBL1744943 0.69 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL1747130 0.69 FFAR1 (1.00) FFAR1FFAR4

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