SCHEMBL776989

SCHEMBL776989

CS(=O)(O)(O)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ACHE P22303 1/20 0.41
PARP1 P09874 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KCNN4 O15554 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFE2L2 Q16236 1/20 0.35
ESR2 Q92731 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL776687 0.83 CES2 (0.45) CES2CES1ACHEPARP1HDAC1
SCHEMBL778554 0.79 CES2 (0.38) CES2CES1ACHEPARP1HDAC1
SCHEMBL779125 0.78 CES2 (0.41) CES2CES1ACHEPARP1HDAC1
SCHEMBL3883834 0.77 ACHE (0.46) ACHEPARP1HDAC6MMP1MMP2
SCHEMBL6009579 0.72 CA2 (0.35) CES2CES1ACHEALDH1A1LMNA
SCHEMBL776568 0.72 CES2 (0.36) CES2CES1ACHEPARP1HDAC1
SCHEMBL776843 0.71 TAAR1 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
Methyl Alcohol SCHEMBL27948423 0.69 ACHE (0.60) CES2CES1ACHEPARP1HDAC1
SCHEMBL779895 0.67 PPARG (0.43) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL778809 0.67 EGFR (0.38) CES2CES1NPC1RAB9AKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed