SCHEMBL9958029

SCHEMBL9958029

COc1cccc(OS(C)(=O)=O)c1OS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
CA2 P00918 6/20 0.41
CA1 P00915 5/20 0.41
CA12 O43570 4/20 0.41
CA14 Q9ULX7 3/20 0.41
CA9 Q16790 3/20 0.41
CA7 P43166 2/20 0.41
CA4 P22748 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALPL P05186 1/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.39
HTR6 P50406 1/20 0.39
NFE2L2 Q16236 4/20 0.39
NPC1 O15118 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL2460830 0.96 SMN1; SMN2 (0.47) SMN1; SMN2CA2CA1CA12CA14
SCHEMBL9958216 0.92 CA12 (0.44) SMN1; SMN2CA2CA1CA12CA14
SCHEMBL64791 0.92 CYP1A2 (0.44) SMN1; SMN2CA2CA1CA9HSD17B10
SCHEMBL9958678 0.88 CYP1A2 (0.41) SMN1; SMN2CA2CA1CA12CA14
SCHEMBL27872668 0.84 SRC (0.39) SMN1; SMN2CA2CA1CA12CA14
SCHEMBL28866717 0.84 SRC (0.39) SMN1; SMN2CA2CA1CA12CA14
SCHEMBL10334392 0.83 TP53 (0.52) SMN1; SMN2CA2CA1CA12CA14
SCHEMBL9957174 0.83 TUBB4A (0.46) CA2CA1CA12CA14CA9
SCHEMBL9957520 0.81 NFE2L2 (0.43) CA2CA1CA12CA14CA9
SCHEMBL31475556 0.81 CA1 (0.59) SMN1; SMN2CA2CA1CA12CA14

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