SCHEMBL2945925

SCHEMBL2945925

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
NAAA Q02083 1/20 0.52
FAAH O00519 1/20 0.47
ACHE P22303 6/20 0.47
TSHR P16473 3/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2946737 1.00 EPHX1 (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL2940433 1.00 EPHX1 (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL2944070 1.00 EPHX1 (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL2946416 1.00 EPHX1 (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL2944105 1.00 EPHX1 (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL2945197 1.00 EPHX1 (0.53) EPHX1NAAAFAAHACHETSHR
SCHEMBL2946411 0.98 EPHX1 (0.50) EPHX1NAAAFAAHACHETSHR
SCHEMBL2946730 0.92 ALDH1A1 (0.50) EPHX1NAAAFAAHACHETSHR
SCHEMBL2946409 0.92 NAAA (0.59) EPHX1NAAAFAAHACHETSHR
SCHEMBL2529455 0.92 NAAA (0.59) EPHX1NAAAFAAHACHETSHR

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