SCHEMBL9957933

SCHEMBL9957933

COc1cc(OS(C)(=O)=O)c(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.41
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TUBB1 Q9H4B7 2/20 0.37
PTPN1 P18031 1/20 0.37
PTGS1 P23219 2/20 0.36
PDE4B Q07343 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9957719 0.94 PTGS2 (0.41) PTGS2LMNAHTTMAPK1RAB9A
SCHEMBL3750956 0.85 PTGS2 (0.37) PTGS2PTPN1PTGS1ALDH1A1SMN1; SMN2
SCHEMBL9956670 0.83 PTGS2 (0.46) PTGS2LMNAHTTMAPK1RAB9A
SCHEMBL9958701 0.80 PDE4B (0.36) PTGS2MAPK1TUBB1PTPN1PDE4B
SCHEMBL18481797 0.80 LMNA (0.45) LMNAHTTMAPK1RAB9ATUBB1
Ammonia Solution, Strong SCHEMBL2235229 0.78 LMNA (0.43) LMNAHTTMAPK1RAB9ATUBB1
SCHEMBL9958555 0.76 LMNA (0.43) LMNAHTTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL9957777 0.76 GAA (0.47) PTGS2LMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL9958562 0.76 PTGS2 (0.48) PTGS2LMNAHTTMAPK1RAB9A
SCHEMBL9957765 0.74 KDM4E (0.49) PTGS2LMNAHTTMAPK1PDE4B

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