SCHEMBL3636142

SCHEMBL3636142

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.38
PKM P14618 2/20 0.35
KLKB1 P03952 1/20 0.34
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
F2RL1 P55085 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2A1 P68400 1/20 0.30
MAPT P10636 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
SCHEMBL23294460 0.86 DGAT1 (0.37) DGAT1NPC1TSHRMAPT
SCHEMBL16100174 0.84 DGAT1 (0.38) DGAT1MAPT
SCHEMBL3028008 0.83 DGAT1 (0.38) DGAT1PKMKLKB1NPC1GAA
SCHEMBL3028997 0.83 DGAT1 (0.36) DGAT1PKMKLKB1NPC1GAA
SCHEMBL27284918 0.82 F2RL1 (0.34) DGAT1PKMKLKB1NPC1GAA
SCHEMBL10117742 0.80 PKM (0.38) DGAT1PKMKLKB1NPC1GAA
SCHEMBL2122003 0.79 DGAT1 (0.42) DGAT1BRD4CREBBP
SCHEMBL4799731 0.79 PTGS2 (0.43) DGAT1PKMNPC1GAATSHR
SCHEMBL12118691 0.78 DGAT1 (0.44) DGAT1BRD4CREBBP
SCHEMBL13560582 0.76 KLKB1 (0.37) DGAT1PKMKLKB1NPC1GAA

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