SCHEMBL2160780

SCHEMBL2160780

CCC(COC=O)(COC(=O)c1ccccc1)COC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.65
HIF1A Q16665 1/20 0.65
TDP1 Q9NUW8 3/20 0.50
SLC6A3 Q01959 2/20 0.50
CYP2D6 P10635 2/20 0.50
LMNA P02545 2/20 0.50
HTR1A P08908 1/20 0.50
SCN1A P35498 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.44
SLC6A2 P23975 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 3/20 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
SCHEMBL14628687 0.92 MAPK1 (0.77) MAPK1HIF1ATDP1SLC6A3CYP2D6
SCHEMBL235921 0.89 MAPK1 (0.81) MAPK1HIF1ATDP1SLC6A3CYP2D6
SCHEMBL9947121 0.87 MAPK1 (0.79) MAPK1HIF1ATDP1SLC6A3CYP2D6
SCHEMBL1786754 0.87 MAPK1 (0.79) MAPK1HIF1ATDP1SLC6A3CYP2D6
SCHEMBL2160976 0.84 MAPK1 (0.59) MAPK1HIF1ATDP1SLC6A3CYP2D6
SCHEMBL812786 0.83 MAPK1 (0.71) MAPK1HIF1ATDP1SLC6A3CYP2D6
SCHEMBL505769 0.83 MAPK1 (0.71) MAPK1HIF1ATDP1SLC6A3CYP2D6
SCHEMBL813094 0.83 MAPK1 (0.71) MAPK1HIF1ATDP1SLC6A3CYP2D6
SCHEMBL11436193 0.83 MAPK1 (0.71) MAPK1HIF1ATDP1SLC6A3CYP2D6
Ethylene Glycol SCHEMBL17996173 0.83 MAPK1 (0.71) MAPK1HIF1ATDP1SLC6A3CYP2D6

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-7985502-B2 Containing formic ester additive; cycling properties, electrical capacity, storage during charging UBE INDUSTRIES, LTD. (JP) 2011-07-26 US disclosed
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP disclosed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP disclosed