SCHEMBL2160957

SCHEMBL2160957

O=COc1cc(O)cc(O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 2/20 0.34
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX5 P09917 2/20 0.33
PTGS2 P35354 2/20 0.33
LCK P06239 1/20 0.33
HPGD P15428 1/20 0.33
ERN1 O75460 1/20 0.33
SYNJ2 O15056 2/20 0.33
FASN P49327 1/20 0.32
KCNA3 P22001 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TTR P02766 1/20 0.31
CYP1A1 P04798 1/20 0.31
BCHE P06276 1/20 0.31
MMP2 P08253 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
SCHEMBL28544265 0.81 ERN1 (0.50) BACE1TDP1PTPN1CYP3A4MAPT
SCHEMBL16322541 0.77 ERN1 (0.41) BACE1TDP1CYP3A4MAPTLCK
SCHEMBL16789305 0.76 KDM4E (0.37) TDP1MAPTHPGDERN1FASN
SCHEMBL3849614 0.76 TDP1 (0.48) BACE1TDP1PTPN1CYP3A4MEN1
SCHEMBL16418462 0.76 ALDH1A1 (0.41) TDP1PTPN1CYP3A4MAPTMEN1
SCHEMBL3037420 0.76 MAOB (0.54) BACE1TDP1MAPTMEN1KMT2A
SCHEMBL24445898 0.72 ERN1 (0.34) ALOX5ERN1
SCHEMBL16547021 0.72 CYP3A4 (0.37) PTPN1CYP3A4MAPTMEN1KMT2A
Formic Acid SCHEMBL2160962 0.72 KDM4E (0.42) BACE1TDP1PTPN1CYP3A4MAPT
SCHEMBL2160842 0.71 ALDH1A1 (0.36) TDP1PTGS2HPGDERN1TTR

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