SCHEMBL779326

SCHEMBL779326

Cc1ccc(S(=O)(=O)O)cc1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.39
PTGS1 P23219 5/20 0.38
PTPN11 Q06124 1/20 0.38
SNCA P37840 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.34
NT5E P21589 1/20 0.34

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
SCHEMBL779010 0.83 PTGS2 (0.38) PTGS2PTGS1SNCAALDH1A1HSD17B10
SCHEMBL11324926 0.83 ALDH1A1 (0.45) SNCAALDH1A1HSD17B10LMNAGAA
SCHEMBL778956 0.78 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL778650 0.78 PTGS2 (0.39) PTGS2PTGS1SNCAALDH1A1HSD17B10
SCHEMBL776846 0.78 SLC9A1 (0.39) PTGS2PTGS1SNCAALDH1A1HSD17B10
SCHEMBL780162 0.77 KMT2A (0.40) PTGS2PTGS1SNCATSHR
SCHEMBL3163675 0.76 HDAC1 (0.43) PTGS2PTGS1SNCAALDH1A1HSD17B10
SCHEMBL780396 0.76 PARP1 (0.40) PTGS2PTGS1
SCHEMBL3885125 0.75 CA12 (0.47) SNCAALDH1A1HSD17B10LMNAMAPT
SCHEMBL776573 0.74 PTPN1 (0.42) PTGS2PTGS1

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 5 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
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed