SCHEMBL776423

SCHEMBL776423

Cc1ccccc1C(=O)c1ccccc1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.43
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
MAPK14 Q16539 3/20 0.41
KAT6A Q92794 1/20 0.41
HPGD P15428 1/20 0.41
ELANE P08246 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL1161086 0.88 CA1 (0.44) MYCKMT2AELANEALDH1A1
SCHEMBL776522 0.85 ALDH1A1 (0.45) KMT2ACYP3A4MAPK13MAPK12MAPK11
SCHEMBL653804 0.84 CA1 (0.57) KMT2ACYP2C9CYP3A4MAPK13MAPK12
SCHEMBL29387256 0.82 CYP3A4 (0.55) KMT2ACYP2C9CYP3A4MAPK13MAPK12
SCHEMBL333141 0.82 CYP3A4 (0.55) KMT2ACYP2C9CYP3A4MAPK13MAPK12
SCHEMBL10669335 0.80 CYP3A4 (0.59) KMT2ACYP2C9CYP3A4MAPK13MAPK12
SCHEMBL2046236 0.79 GSTA1 (0.49) KMT2ACYP3A4HPGDALDH1A1CYP1A2
SCHEMBL9174320 0.79 ALDH1A1 (0.48) MYCKMT2ACYP2C9CYP3A4HPGD
SCHEMBL777167 0.79 AKR1C3 (0.59) KMT2AHPGDALDH1A1MEN1CYP1A2
SCHEMBL9359063 0.78 GAA (0.53) CYP2C9ALDH1A1

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