SCHEMBL9958666

SCHEMBL9958666

CS(=O)(=O)Oc1cc(F)c2c(c1)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.37
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
NLRP3 Q96P20 1/20 0.34
SCN9A Q15858 2/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
PARP1 P09874 1/20 0.31
CES1 P23141 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30

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
SCHEMBL9957639 0.78 NLRP3 (0.33) STSNLRP3
SCHEMBL9957342 0.75 NLRP3 (0.33) STSNLRP3SCN9A
SCHEMBL27946095 0.75 TAAR1 (0.40) ALDH1A1GAA
SCHEMBL3738486 0.74 HPGD (0.39) STSCA2CA5AALDH1A1KDM4E
SCHEMBL9957908 0.73 PTGS2 (0.31) SCN9APARP1
SCHEMBL9958008 0.72 STS (0.39) STSCA2CA5ASCN9A
SCHEMBL17355702 0.72 HPGD (0.41) CA2CA5AALDH1A1KDM4EGAA
SCHEMBL6184702 0.72 STS (0.68) STSCA2CA5ASCN9AALDH1A1
SCHEMBL17672597 0.71 CA2 (0.37) CA2CA5AALDH1A1KDM4EGAA
SCHEMBL17672673 0.71 ALDH1A1 (0.36) CA2CA5AALDH1A1KDM4EGAA

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