SCHEMBL2949588

SCHEMBL2949588

C#CC#CC(=O)OCCCCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
NAAA Q02083 1/20 0.46
EPHX1 P07099 1/20 0.43
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.41
HCAR2 Q8TDS4 2/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL2946420 0.98 NAAA (0.48) CA12CA1CA2CA9NAAA
SCHEMBL2948756 0.94 ALDH1A1 (0.47) CA12CA1CA2CA9NAAA
SCHEMBL3411726 0.93 CA12 (0.44) CA12CA1CA2CA9NAAA
SCHEMBL2945057 0.88 NAAA (0.52) CA12CA1CA2CA9NAAA
SCHEMBL2949596 0.86 NAAA (0.55) CA12CA1CA2CA9NAAA
SCHEMBL2946095 0.86 NAAA (0.55) CA12CA1CA2CA9NAAA
SCHEMBL2945464 0.86 NAAA (0.55) CA12CA1CA2CA9NAAA
SCHEMBL2946819 0.86 NAAA (0.55) CA12CA1CA2CA9NAAA
SCHEMBL2945467 0.86 HCAR2 (0.35) TSHRALDH1A1HCAR2LMNA
SCHEMBL2945988 0.86 NAAA (0.55) CA12CA1CA2CA9NAAA

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