SCHEMBL4005166

SCHEMBL4005166

COC(=O)Cc1cc(Br)cc2cnn(COCC[Si](C)(C)C)c12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.34
KLKB1 P03952 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
SCHEMBL2429629 0.84 DGAT1 (0.35) DGAT1
SCHEMBL2425101 0.83 DGAT1 (0.36) DGAT1
SCHEMBL2427388 0.83 DGAT1 (0.32) DGAT1
SCHEMBL15917685 0.83 DGAT1 (0.35) DGAT1
SCHEMBL15809068 0.80 HSD17B10 (0.35) DGAT1KLKB1
SCHEMBL31038888 0.79 NPC1 (0.36) DGAT1
SCHEMBL4005167 0.79 DGAT1 (0.32) DGAT1
SCHEMBL6525558 0.78 DGAT1 (0.37) DGAT1
SCHEMBL2430468 0.77 DGAT1 (0.37) DGAT1
SCHEMBL2428934 0.76 DGAT1 (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed