SCHEMBL2940439

SCHEMBL2940439

CCCCCCCCOC(=O)C#CC#CC(=O)OCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
EPHX1 P07099 1/20 0.52
ACHE P22303 6/20 0.50
TSHR P16473 3/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
HCAR2 Q8TDS4 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
DGKA P23743 1/20 0.45

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
SCHEMBL2946095 1.00 NAAA (0.55) NAAAEPHX1ACHETSHRCA12
SCHEMBL2945988 1.00 NAAA (0.55) NAAAEPHX1ACHETSHRCA12
SCHEMBL2949596 1.00 NAAA (0.55) NAAAEPHX1ACHETSHRCA12
SCHEMBL2945464 1.00 NAAA (0.55) NAAAEPHX1ACHETSHRCA12
SCHEMBL2946819 1.00 NAAA (0.55) NAAAEPHX1ACHETSHRCA12
SCHEMBL2946749 1.00 NAAA (0.55) NAAAEPHX1ACHETSHRCA12
SCHEMBL2945057 0.98 NAAA (0.52) NAAAEPHX1ACHETSHRCA12
SCHEMBL2939738 0.91 ALDH1A1 (0.54) NAAAEPHX1ACHETSHRCA12
SCHEMBL2945479 0.91 NAAA (0.59) NAAAEPHX1ACHETSHRCA12
SCHEMBL2946409 0.91 NAAA (0.59) NAAAEPHX1ACHETSHRCA12

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