SCHEMBL2944650

SCHEMBL2944650

CCCCCOC(=O)CC#CCC(=O)OCCCCC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.63
RAD52 P43351 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
DGKA P23743 1/20 0.52
FAAH O00519 2/20 0.52
HTR2C P28335 1/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
EPHX1 P07099 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 1/20 0.46
HCAR2 Q8TDS4 2/20 0.46
CES2 O00748 1/20 0.45
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL2945049 0.98 NAAA (0.67) NAAARAD52NPSR1DGKAFAAH
SCHEMBL2943013 0.98 NAAA (0.67) NAAARAD52NPSR1DGKAFAAH
SCHEMBL2947703 0.98 NAAA (0.67) NAAARAD52NPSR1DGKAFAAH
SCHEMBL2944649 0.93 ALDH1A1 (0.54) NAAARAD52NPSR1DGKAFAAH
SCHEMBL2941650 0.86 NAAA (0.47) NAAARAD52NPSR1DGKAFAAH
SCHEMBL4910649 0.85 NAAA (0.61) NAAARAD52NPSR1DGKAFAAH
SCHEMBL2939247 0.84 NAAA (0.41) NAAARAD52NPSR1DGKAFAAH
SCHEMBL18187586 0.83 NAAA (0.48) NAAARAD52NPSR1DGKAFAAH
SCHEMBL2855420 0.83 NAAA (0.59) NAAARAD52NPSR1DGKAFAAH
SCHEMBL4901007 0.83 NAAA (0.64) NAAARAD52NPSR1DGKAFAAH

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