SCHEMBL2945262

SCHEMBL2945262

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPHX1 P07099 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2945975 0.91 HCAR2 (0.38) ACHEHCAR2ALDH1A1LMNAHPGD
SCHEMBL2945350 0.91 HCAR2 (0.40) ACHEHCAR2ALDH1A1LMNAKDM4E
SCHEMBL2945903 0.88 ALDH1A1 (0.47) ACHEHCAR2ALDH1A1HPGDTSHR
SCHEMBL2941830 0.85 ALDH1A1 (0.42) ACHEHCAR2ALDH1A1LMNAHPGD
SCHEMBL2939615 0.83 GAA (0.42) HCAR2ALDH1A1LMNAKDM4EGLA
SCHEMBL2944738 0.82 HCAR2 (0.43) ACHEHCAR2ALDH1A1LMNAHPGD
SCHEMBL2945467 0.79 HCAR2 (0.35) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL2946730 0.79 ALDH1A1 (0.50) ACHEHCAR2ALDH1A1HPGDTSHR
SCHEMBL2939248 0.79 ALDH1A1 (0.39) HCAR2ALDH1A1TSHRHSD17B10
SCHEMBL2939738 0.78 ALDH1A1 (0.54) ACHEHCAR2ALDH1A1LMNAHPGD

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