SCHEMBL3387337

SCHEMBL3387337

O=COCC=CCOC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TK1 P04183 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
F2 P00734 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 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
SCHEMBL3387335 1.00 TDP1 (0.50) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL8078151 0.89 TDP1 (0.61) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL8522569 0.89 TDP1 (0.61) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL8522570 0.89 TDP1 (0.61) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL10540715 0.82 TDP1 (0.53) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL11570808 0.82 TDP1 (0.53) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL11570740 0.82 TDP1 (0.53) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL11570806 0.82 TDP1 (0.53) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL11612353 0.82 TDP1 (0.53) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL9838229 0.82 TDP1 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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