SCHEMBL2946396

SCHEMBL2946396

COC(=O)C#CC(=O)OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL818755 0.91 TSHR (0.48) TSHRALDH1A1KDM4EMAPTMAPK1
SCHEMBL16885806 0.82 TSHR (0.45) TSHRALDH1A1KDM4EMAPTMAPK1
SCHEMBL16437025 0.81 TSHR (0.41) TSHRALDH1A1KDM4EMAPTMAPK1
SCHEMBL31675156 0.80 TSHR (0.43) TSHRALDH1A1KDM4EMAPTMAPK1
SCHEMBL25706 0.75 ALDH1A1 (0.44) TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2945943 0.75 GAA (0.46) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL304813 0.74
SCHEMBL1980061 0.73
SCHEMBL7523546 0.73
Hydrochloric Acid SCHEMBL38662524 0.72 TSHR (0.48) TSHRALDH1A1KDM4EMAPTMAPK1

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