SCHEMBL778787

SCHEMBL778787

Cc1ccc(S(=O)(=O)O)cc1C1CCCC(F)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA12 O43570 3/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
PTGS2 P35354 1/20 0.32
CA9 Q16790 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8763566 0.84 ALDH1A1 (0.43) ALDH1A1GAAMAPTLMNACA1
SCHEMBL778058 0.83 CA1 (0.36) ALDH1A1GAAMAPTLMNACA1
SCHEMBL656155 0.83 PTGS2 (0.42) ALDH1A1MAPTLMNACA1CA2
SCHEMBL29104732 0.81 CA1 (0.41) ALDH1A1GAAMAPTLMNACA1
SCHEMBL8089603 0.79 MEN1 (0.38) ALDH1A1GAAMAPTLMNACA1
SCHEMBL8076428 0.77 ALDH1A1 (0.37) ALDH1A1GAAMAPTLMNACA1
SCHEMBL10596658 0.76 ALDH1A1 (0.35) ALDH1A1GAAMAPTLMNACA1
SCHEMBL778785 0.76 PTGDR2 (0.35) PTGS2TSHR
SCHEMBL780174 0.75 ALDH1A1 (0.38) ALDH1A1GAAMAPTLMNACA1
SCHEMBL658620 0.74 ALDH1A1 (0.40) ALDH1A1GAAMAPTLMNACA1

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