SCHEMBL980225

SCHEMBL980225

C=CC(OC(=O)O)C(OC(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
HCAR2 Q8TDS4 1/20 0.37
LMNA P02545 3/20 0.36
CYP2D6 P10635 1/20 0.36
SRC P12931 1/20 0.36
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKT1 P31749 1/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL980836 0.80 CYP2D6 (0.48) HCAR2LMNACYP2D6SRCMAPK1
SCHEMBL28577553 0.76 CYP3A4 (0.40) CYP2C19HCAR2LMNAKMT2AAKT1
SCHEMBL2886387 0.76 CYP2C19 (0.43) CYP2C19HCAR2LMNACYP2D6SRC
SCHEMBL982729 0.73 LMNA (0.35) CYP2C19LMNACYP2D6KMT2A
SCHEMBL27801807 0.73 CYP2D6 (0.41) HCAR2LMNACYP2D6SRCMAPK1
SCHEMBL27780426 0.73 LMNA (0.42) HCAR2LMNACYP2D6SRCMAPK1
SCHEMBL24708816 0.72 THRB (0.43) CYP2C19HCAR2LMNACYP2D6SRC
SCHEMBL4901518 0.72 LMNA (0.43) HCAR2LMNACYP2D6SRCMAPK1
SCHEMBL28615505 0.70 ADRA2A (0.48) HCAR2LMNACYP2D6SRCMAPK1
SCHEMBL27278688 0.70 CYP3A4 (0.44) HCAR2LMNACYP2D6SRCMAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1892789-B1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2018-02-28 EP disclosed
CN-104112870-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2014-10-22 CN disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
CN-102484281-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2012-05-30 CN disclosed
US-20110014504-A1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
US-20080311478-A1 Lithium Secondary Battery MITSUBISHI CHEMICAL CORPORATION (JP) 2008-12-18 US disclosed
EP-1892789-A1 LITHIUM SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2008-02-27 EP disclosed