SCHEMBL2944649

SCHEMBL2944649

CCCCOC(=O)CC#CCC(=O)OCCCC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
NAAA Q02083 1/20 0.54
ATM Q13315 1/20 0.50
DGKA P23743 1/20 0.48
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HTR2C P28335 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 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
SCHEMBL2944650 0.93 NAAA (0.63) ALDH1A1NAAADGKATSHRRAD52
SCHEMBL2941650 0.92 NAAA (0.47) ALDH1A1NAAAATMDGKATSHR
SCHEMBL2947703 0.91 NAAA (0.67) ALDH1A1NAAADGKATSHRRAD52
SCHEMBL2945049 0.91 NAAA (0.67) ALDH1A1NAAADGKATSHRRAD52
SCHEMBL2943013 0.91 NAAA (0.67) ALDH1A1NAAADGKATSHRRAD52
SCHEMBL18187586 0.90 NAAA (0.48) ALDH1A1NAAAATMDGKATSHR
SCHEMBL28377155 0.88 NAAA (0.47) ALDH1A1NAAAATMDGKATSHR
SCHEMBL2939247 0.86 NAAA (0.41) ALDH1A1NAAADGKATSHRRAD52
SCHEMBL7105216 0.84 ALDH1A1 (0.52) ALDH1A1NAAAATMDGKATSHR
SCHEMBL4908644 0.84 ALDH1A1 (0.52) ALDH1A1NAAAATMDGKATSHR

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 6 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
CN-100502135-C Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2009-06-17 CN disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
CN-1961452-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2007-05-09 CN disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP disclosed