SCHEMBL2946387

SCHEMBL2946387

CCOC(=O)/C=C/C=C/C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.56
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
MAPT P10636 5/20 0.46
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2946389 1.00 HCAR2 (0.56) HCAR2KEAP1NFE2L2MAPTNPSR1
Diethyl Maleate SCHEMBL1997508 0.91 HCAR2 (0.67) HCAR2KEAP1NFE2L2MAPTNPSR1
SCHEMBL554288 0.91 HCAR2 (0.67) HCAR2KEAP1NFE2L2MAPTNPSR1
Diethyl Maleate SCHEMBL28318001 0.91 HCAR2 (0.67) HCAR2KEAP1NFE2L2MAPTNPSR1
Diethyl Maleate SCHEMBL28185444 0.91 HCAR2 (0.67) HCAR2KEAP1NFE2L2MAPTNPSR1
SCHEMBL847082 0.91 HCAR2 (0.67) HCAR2KEAP1NFE2L2MAPTNPSR1
SCHEMBL847081 0.91 HCAR2 (0.67) HCAR2KEAP1NFE2L2MAPTNPSR1
SCHEMBL2949604 0.91 HCAR2 (0.65) HCAR2MAPTNPSR1CA12CA1
SCHEMBL820970 0.91 HCAR2 (0.65) HCAR2MAPTNPSR1CA12CA1
SCHEMBL10696751 0.91 HCAR2 (0.65) HCAR2MAPTNPSR1CA12CA1

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