SCHEMBL3883834

SCHEMBL3883834

Cc1cccc(S(C)(=O)(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
EGFR P00533 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TSHR P16473 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL3896461 0.84 ACHE (0.48) ACHEPARP1SMN1; SMN2LMNAHDAC8
SCHEMBL3883006 0.79 ACHE (0.42) ACHEPARP1SMN1; SMN2LMNAALDH1A1
SCHEMBL3883735 0.72 TDP1 (0.42) ACHESMN1; SMN2LMNAHDAC6ALDH1A1
SCHEMBL777090 0.69 PARP1 (0.55) PARP1SMN1; SMN2HDAC8HDAC6HPGD
M-Xylene SCHEMBL10427453 0.67 ACHE (0.86) ACHEPARP1SMN1; SMN2LMNAHDAC8
M-Xylene SCHEMBL11786968 0.67 ACHE (0.86) ACHEPARP1LMNAHDAC8HDAC6
M-Xylene SCHEMBL28189 0.66
M-Xylene SCHEMBL6397624 0.66
M-Xylene SCHEMBL891494 0.66 ACHE (1.00) ACHEPARP1LMNAALDH1A1MAPK1
M-Xylene SCHEMBL509876 0.66 ACHE (0.71) ACHEPARP1SMN1; SMN2LMNAHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 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