SCHEMBL9958155

SCHEMBL9958155

COc1cc(OS(C)(=O)=O)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 3/20 0.44
MEN1 O00255 1/20 0.43
PSMD14 O00487 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA2 P00918 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALPL P05186 2/20 0.40
ALPI P09923 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9958775 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL9957685 0.85 CA12 (0.54) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL2463711 0.85 CA12 (0.59) ALDH1A1GAAHPGDMEN1PSMD14
SCHEMBL9956982 0.83 CA12 (0.52) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL6939170 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL17672586 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL9958555 0.80 LMNA (0.43) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL17672769 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL12258658 0.79 HPGD (0.40) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL2058113 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHPGDMEN1

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