SCHEMBL778426

SCHEMBL778426

COS(=O)(=O)OC(=O)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 8/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 2/20 0.41
HTT P42858 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
SCHEMBL776412 0.90 TDP1 (0.59) TDP1ALDH1A1MAPTKMT2AGAA
SCHEMBL777801 0.80 KMT2A (0.53) TDP1ALDH1A1MAPTKMT2AGAA
SCHEMBL11868608 0.80 TDP1 (0.57) TDP1ALDH1A1MAPTKMT2AGAA
SCHEMBL16160743 0.80 TDP1 (0.57) TDP1ALDH1A1MAPTKMT2AGAA
SCHEMBL778589 0.79 PARP1 (0.49) MAPTKMT2AGAASMN1; SMN2MEN1
SCHEMBL27753578 0.78 TDP1 (0.55) TDP1ALDH1A1MAPTKMT2AGAA
SCHEMBL28813355 0.78 CA1 (0.59) TDP1ALDH1A1MAPTKMT2ACA12
SCHEMBL779601 0.78 RAB9A (0.46) TDP1ALDH1A1MAPTKMT2ACES2
SCHEMBL9559105 0.77 TDP1 (0.53) TDP1ALDH1A1MAPTKMT2AGAA
P-Xylene SCHEMBL28859201 0.76 GAA (0.50) TDP1ALDH1A1KMT2AGAALMNA

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-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