SCHEMBL9958775

SCHEMBL9958775

COc1ccc(OS(C)(=O)=O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.44
PTGS2 P35354 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PSMD14 O00487 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL9958325 0.85 CA1 (0.45) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL9958155 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL9957685 0.85 CA12 (0.54) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL2463711 0.85 CA12 (0.59) ALDH1A1GAAHPGDMEN1MAPT
SCHEMBL20082225 0.84 ALDH1A1 (0.46) ALDH1A1GAAPTGS2MEN1MAPT
SCHEMBL9956982 0.83 CA12 (0.52) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL6939170 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDL3MBTL1
SCHEMBL9958562 0.80 PTGS2 (0.48) ALDH1A1GAAPTGS2MEN1MAPT
SCHEMBL27872634 0.80 CA2 (0.44) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL27872629 0.80 POLB (0.45) ALDH1A1HPGDMEN1MAPTKMT2A

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-9029024-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-05-12 US disclosed
EP-2469638-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTROCHEMICAL DEVICE USING THE SAME UBE INDUSTRIES (JP) 2014-10-01 EP disclosed
US-20120189919-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2469638-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-06-27 EP disclosed