SCHEMBL2946741

SCHEMBL2946741

COC(=O)C#CC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
CTSK P43235 3/20 0.33
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA2 P00918 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 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
SCHEMBL1414348 0.89 DGAT1 (0.40) DGAT1CTSKCA2TDP1CA1
SCHEMBL25706 0.81 ALDH1A1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16445931 0.80 DGAT1 (0.34) DGAT1CTSK
SCHEMBL18186430 0.80 DGAT1 (0.34) DGAT1CTSK
SCHEMBL20657046 0.80 DGAT1 (0.34) DGAT1CTSK
SCHEMBL16885807 0.79 DGAT1 (0.37) DGAT1CTSKTDP1
SCHEMBL1088416 0.77 CTSK (0.38) DGAT1CTSK
SCHEMBL3489322 0.77 DGAT1 (0.36) DGAT1CTSK
SCHEMBL19216979 0.77 DGAT1 (0.36) DGAT1CTSK
SCHEMBL9876868 0.76 DGAT1 (0.37) DGAT1CTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP disclosed