SCHEMBL2939738

SCHEMBL2939738

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
ATM Q13315 1/20 0.50
TSHR P16473 5/20 0.47
HPGD P15428 1/20 0.47
ACHE P22303 7/20 0.44
HCAR2 Q8TDS4 1/20 0.44
NAAA Q02083 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL2945057 0.93 NAAA (0.52) ALDH1A1TSHRACHEHCAR2NAAA
SCHEMBL2945903 0.92 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDACHE
SCHEMBL2945464 0.91 NAAA (0.55) ALDH1A1TSHRACHEHCAR2NAAA
SCHEMBL2949596 0.91 NAAA (0.55) ALDH1A1TSHRACHEHCAR2NAAA
SCHEMBL2946749 0.91 NAAA (0.55) ALDH1A1TSHRACHEHCAR2NAAA
SCHEMBL2946819 0.91 NAAA (0.55) ALDH1A1TSHRACHEHCAR2NAAA
SCHEMBL2946095 0.91 NAAA (0.55) ALDH1A1TSHRACHEHCAR2NAAA
SCHEMBL2940439 0.91 NAAA (0.55) ALDH1A1TSHRACHEHCAR2NAAA
SCHEMBL2945988 0.91 NAAA (0.55) ALDH1A1TSHRACHEHCAR2NAAA
SCHEMBL2946754 0.91 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDACHE

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666904-B2 Secondary battery NEC CORPORATION (JP) 2017-05-30 US disclosed
US-9666904-B2 Secondary battery NEC CORPORATION (JP) 2017-05-30 US disclosed
US-20150194703-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2015-07-09 US disclosed
US-20150194703-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2015-07-09 US disclosed
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