SCHEMBL3633951

SCHEMBL3633951

C[Si](C)(C)CCOCn1c(CCO)nc(Br)c1Br

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
NPC1 O15118 1/20 0.31
PNP P00491 1/20 0.30

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
SCHEMBL3637817 0.88 DGAT1 (0.33) DGAT1NPC1
SCHEMBL6545264 0.87 DGAT1 (0.32) DGAT1
SCHEMBL9584122 0.84 DGAT1 (0.31) DGAT1
SCHEMBL3640575 0.83 DGAT1 (0.31) DGAT1
SCHEMBL3634283 0.81 MEN1 (0.34) DGAT1
SCHEMBL30720870 0.80 DGAT1 (0.35) DGAT1
SCHEMBL3809059 0.80 DUT (0.33) DGAT1
SCHEMBL30720869 0.80 DGAT1 (0.35) DGAT1
SCHEMBL67719 0.79 DGAT1 (0.35) DGAT1NPC1PNP
SCHEMBL17895929 0.78 DGAT1 (0.31) DGAT1

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
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed