SCHEMBL780174

SCHEMBL780174

Cc1ccc(S(=O)(=O)O)cc1C1CCCCC1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SNCA P37840 1/20 0.33
TP53 P04637 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
SCHEMBL658620 0.88 ALDH1A1 (0.40) ALDH1A1THRBTDP1CA1CA2
SCHEMBL8076428 0.85 ALDH1A1 (0.37) ALDH1A1THRBTDP1CA1CA2
SCHEMBL7100553 0.84 ALDH1A1 (0.39) ALDH1A1THRBTDP1CA1CA2
SCHEMBL9101015 0.81 TDP1 (0.39) ALDH1A1THRBTDP1MAPTGAA
SCHEMBL8763566 0.80 ALDH1A1 (0.43) ALDH1A1THRBTDP1CA1CA2
SCHEMBL656155 0.79 PTGS2 (0.42) ALDH1A1THRBTDP1CA1CA2
SCHEMBL29104732 0.77 CA1 (0.41) ALDH1A1TDP1CA1CA2CA12
SCHEMBL778058 0.77 CA1 (0.36) ALDH1A1CA1CA2CA12CA7
SCHEMBL778787 0.75 ALDH1A1 (0.35) ALDH1A1THRBTDP1CA1CA2
SCHEMBL780172 0.74 NOS3 (0.38) ALDH1A1TDP1LMNAMAPTGAA

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