SCHEMBL777286

SCHEMBL777286

Cc1cccc(C(=O)CCS(=O)(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.54
WNT3A P56704 4/20 0.54
KMT2A Q03164 3/20 0.49
PARP1 P09874 1/20 0.49
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HSD11B1 P28845 1/20 0.44
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNH2 Q12809 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
KAT6A Q92794 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
SCHEMBL30089541 0.84 CTNNB1 (0.70) CTNNB1WNT3AKMT2APARP1HPGD
SCHEMBL29062364 0.84 CTNNB1 (0.70) CTNNB1WNT3AKMT2APARP1HPGD
SCHEMBL777531 0.83 PARP1 (0.52) CTNNB1WNT3AKMT2APARP1HPGD
SCHEMBL778194 0.79 KMT2A (0.59) CTNNB1WNT3AKMT2AHSD11B1MEN1
SCHEMBL2027904 0.79 CTNNB1 (0.59) CTNNB1WNT3AKMT2APARP1HPGD
SCHEMBL10788703 0.79 CTNNB1 (0.64) CTNNB1WNT3AKMT2APARP1HPGD
SCHEMBL27445770 0.78 HSD11B1 (0.67) CTNNB1WNT3AKMT2AHPGDTDP1
SCHEMBL8533612 0.77 CTNNB1 (0.62) CTNNB1WNT3AKMT2APARP1HPGD
SCHEMBL29698182 0.77 CTNNB1 (0.62) CTNNB1WNT3AKMT2APARP1HPGD
SCHEMBL11382023 0.77 CTNNB1 (0.58) CTNNB1WNT3AKMT2APARP1HPGD

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