SCHEMBL2161673

SCHEMBL2161673

O=COCC#CCOC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
F2 P00734 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL3392303 0.94 TDP1 (0.46) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL577020 0.88 TDP1 (0.61) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL5657133 0.81 TDP1 (0.53) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL8649254 0.80 TDP1 (0.57) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL5655771 0.79 TDP1 (0.52) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL844801 0.79 TDP1 (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3
Benzene SCHEMBL28861687 0.77 LMNA (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL15863301 0.77 TDP1 (0.53) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL11310553 0.77 TDP1 (0.53) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL576103 0.77 LMNA (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3

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-7985502-B2 Containing formic ester additive; cycling properties, electrical capacity, storage during charging UBE INDUSTRIES, LTD. (JP) 2011-07-26 US disclosed
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP disclosed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP disclosed