SCHEMBL4079035

SCHEMBL4079035

O=C(O)NC(Cc1ccc(OCc2ccccc2)cc1)[C@H]1CO1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.50
PPARA Q07869 2/20 0.50
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
LTA4H P09960 2/20 0.48
GPR34 Q9UPC5 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
LAP3 P28838 1/20 0.47
PARP10 Q53GL7 1/20 0.47
ADAM17 P78536 1/20 0.47
MAOB P27338 1/20 0.46

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
SCHEMBL4344226 1.00 PPARG (0.50) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL13537531 0.91 PPARG (0.48) PPARGPPARAFFAR1FFAR4LTA4H
SCHEMBL23532659 0.88 GPR132 (0.48) FFAR1ADAM17MAOB
SCHEMBL3172048 0.88 GPR132 (0.48) FFAR1ADAM17MAOB
SCHEMBL23532660 0.88 GPR132 (0.48) FFAR1ADAM17MAOB
SCHEMBL2438588 0.87 NPC1 (0.44)
SCHEMBL495878 0.87 NPC1 (0.44)
SCHEMBL23092514 0.87 NPC1 (0.44)
SCHEMBL21979446 0.87 NPC1 (0.44)
SCHEMBL3508763 0.87 NPC1 (0.44)

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-1638960-A4 PREPARATION OF CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
EP-1638960-A2 PREPARATION OF CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2006-03-29 EP disclosed
WO-2005000249-A2 PREPARATION OF CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO disclosed