SCHEMBL980836

SCHEMBL980836

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
SRC P12931 2/20 0.48
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.45
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 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
SCHEMBL27801807 0.87 CYP2D6 (0.41) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL27780426 0.87 LMNA (0.42) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL4901518 0.85 LMNA (0.43) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL28615505 0.83 ADRA2A (0.48) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL27278688 0.83 CYP3A4 (0.44) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL15899493 0.82 CYP3A4 (0.46) CYP2D6SRCKMT2AALDH1A1CYP3A4
SCHEMBL12199933 0.81 CYP3A4 (0.58) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL29816355 0.81 CYP2D6 (0.52) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL13130581 0.80 CHRM2 (0.44) CYP2D6LMNAKMT2AALDH1A1CYP3A4
SCHEMBL980225 0.80 CYP2C19 (0.40) CYP2D6SRCLMNAMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114899352-B Nonaqueous electrolyte storage element and method for manufacturing same 株式会社杰士汤浅国际 2023-12-08 CN disclosed
CN-113994447-A Nonaqueous electrolyte for electricity storage element, nonaqueous electrolyte electricity storage element, and method for manufacturing nonaqueous electrolyte electricity storage element 株式会社杰士汤浅国际 2022-01-28 CN disclosed
CN-111448688-A Positive electrode, nonaqueous electrolyte storage element, method for producing positive electrode, and method for producing nonaqueous electrolyte storage element 株式会社杰士汤浅国际 2020-07-24 CN disclosed
CN-111316494-A Nonaqueous electrolyte electricity storage element and method for manufacturing nonaqueous electrolyte electricity storage element 株式会社杰士汤浅国际 2020-06-19 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