SCHEMBL776559

SCHEMBL776559

Cc1cccc(C(=O)OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
ESR1 P03372 2/20 0.47
MEN1 O00255 2/20 0.47
ESR2 Q92731 1/20 0.47
PARP1 P09874 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KAT6A Q92794 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL21408400 0.89 ATM (0.41) POLBKAT6ARAB9AMAPTPKM
SCHEMBL28747778 0.84 POLB (0.51) KMT2APOLBMEN1ALDH1A1RAB9A
SCHEMBL779390 0.82 PARP1 (0.53) KMT2APOLBESR1MEN1ESR2
SCHEMBL6638516 0.81 LMNA (0.50) KMT2APOLBESR1MEN1ESR2
SCHEMBL778826 0.80 TDP1 (0.50) KMT2AESR1ESR2SMN1; SMN2ALDH1A1
SCHEMBL27937494 0.80 PARP1 (0.52) KMT2APOLBESR1MEN1ESR2
SCHEMBL27808160 0.79 PARP1 (0.50) KMT2APOLBESR1MEN1ESR2
SCHEMBL27503308 0.79 PARP1 (0.55) KMT2APOLBESR1MEN1ESR2
SCHEMBL778589 0.78 PARP1 (0.49) KMT2APOLBESR1MEN1ESR2
SCHEMBL28259589 0.78 PARP1 (0.49) KMT2APOLBESR1MEN1ESR2

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