SCHEMBL14780378

SCHEMBL14780378

O=S(=O)(OC1CCCCC1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.48
ENPP1 P22413 2/20 0.48
ENPP2 Q13822 2/20 0.48
CYP2D6 P10635 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
TRPA1 O75762 1/20 0.41
EPHX2 P34913 2/20 0.40
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PTGS2 P35354 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SOS1 Q07889 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
SCHEMBL14779304 0.98 ENPP3 (0.47) ENPP3ENPP1ENPP2CYP2D6CA1
SCHEMBL3443817 0.84 MAPK1 (0.51) CYP2D6CA1CA2EPHX2GAA
SCHEMBL22621292 0.84 CYP2D6 (0.61) ENPP3ENPP1ENPP2CYP2D6CA1
SCHEMBL6859221 0.84 CYP2D6 (0.47) ENPP3ENPP1ENPP2CYP2D6CA1
SCHEMBL24250706 0.84 CYP2D6 (0.61) ENPP3ENPP1ENPP2CYP2D6CA1
SCHEMBL23192021 0.84 CYP2D6 (0.61) ENPP3ENPP1ENPP2CYP2D6CA1
SCHEMBL9060935 0.84 CYP2D6 (0.61) ENPP3ENPP1ENPP2CYP2D6CA1
SCHEMBL21111053 0.84 CA1 (0.47) ENPP3ENPP1ENPP2CYP2D6CA1
SCHEMBL8370244 0.84 CYP2D6 (0.61) ENPP3ENPP1ENPP2CYP2D6CA1
SCHEMBL8367865 0.84 CYP2D6 (0.61) ENPP3ENPP1ENPP2CYP2D6CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
CN-102934275-B Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-06-17 CN disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed
CN-102934275-A Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2013-02-13 CN disclosed