SCHEMBL776522

SCHEMBL776522

Cc1ccc(S(=O)(=O)O)c(C(=O)c2ccccc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
MAPK11 Q15759 3/20 0.40
MAPK14 Q16539 3/20 0.40
MEP1B Q16820 1/20 0.38
METAP2 P50579 1/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ENPP3 O14638 1/20 0.38
ALPL P05186 1/20 0.38
XIAP P98170 1/20 0.38

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
Water SCHEMBL11263305 0.87 CSNK2A1 (0.41) ALDH1A1HPGDHSD17B10MEP1BMETAP2
SCHEMBL776423 0.85 MYC (0.43) ALDH1A1HPGDCYP3A4CYP2C19MAPK13
SCHEMBL11033524 0.83 ALDH1A1 (0.52) ALDH1A1KMT2A
SCHEMBL11753699 0.81 TSHR (0.51) ALDH1A1HSD17B10CYP3A4CYP2D6TSHR
SCHEMBL11526907 0.80 MAPT (0.49) ALDH1A1MEP1BKMT2A
SCHEMBL11526754 0.79 POLB (0.47) ALDH1A1MEN1KMT2A
SCHEMBL21417701 0.79 POLB (0.40) ALDH1A1HPGDHSD17B10METAP2HSD11B1
SCHEMBL780497 0.79 ALDH1A1 (0.50) ALDH1A1KMT2A
SCHEMBL778630 0.78 POLB (0.54) ALDH1A1HPGDMEN1KMT2A
SCHEMBL11756227 0.78 MAPK13 (0.53) ALDH1A1MAPK13MAPK12MAPK11MAPK14

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