SCHEMBL2945975

SCHEMBL2945975

CCCOC(=O)C#CC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.35
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL2945262 0.91 ACHE (0.35) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL2944738 0.91 HCAR2 (0.43) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL2946730 0.87 ALDH1A1 (0.50) HCAR2ALDH1A1TSHRTDP1HPGD
SCHEMBL2946411 0.85 EPHX1 (0.50) HCAR2ALDH1A1TSHRACHEMAPK1
SCHEMBL2941847 0.84 ALDH1A1 (0.46) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL2945925 0.84 EPHX1 (0.53) HCAR2ALDH1A1LMNATSHRACHE
SCHEMBL2945197 0.84 EPHX1 (0.53) HCAR2ALDH1A1LMNATSHRACHE
SCHEMBL2940433 0.84 EPHX1 (0.53) HCAR2ALDH1A1LMNATSHRACHE
SCHEMBL2946416 0.84 EPHX1 (0.53) HCAR2ALDH1A1LMNATSHRACHE
SCHEMBL2944070 0.84 EPHX1 (0.53) HCAR2ALDH1A1LMNATSHRACHE

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