SCHEMBL3640273

SCHEMBL3640273

C[Si](C)(C)CCOCn1cnc(Br)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.39
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL3635281 0.83 DGAT1 (0.35) DGAT1BRD4CREBBP
SCHEMBL30079620 0.81 ALDH1A1 (0.33) DGAT1
SCHEMBL2122003 0.80 DGAT1 (0.42) DGAT1BRD4CREBBP
SCHEMBL12118691 0.79 DGAT1 (0.44) DGAT1BRD4CREBBP
SCHEMBL2083830 0.78 DGAT1 (0.37) DGAT1BRD4CREBBP
SCHEMBL3636142 0.76 DGAT1 (0.38) DGAT1BRD4CREBBP
SCHEMBL22126056 0.75 DGAT1 (0.39) DGAT1
SCHEMBL23163189 0.74 DGAT1 (0.39) DGAT1
SCHEMBL31710909 0.74 DGAT1 (0.49) DGAT1
SCHEMBL3528522 0.74 DGAT1 (0.36) DGAT1BRD4CREBBP

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