SCHEMBL10179772

SCHEMBL10179772

CCCCCc1ccc(OS(=O)(=O)CC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.47
CA2 P00918 3/20 0.46
FAAH O00519 1/20 0.46
THRB P10828 2/20 0.44
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.43
THRA P10827 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
FUT7 Q11130 1/20 0.41
ESR1 P03372 2/20 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
SCHEMBL10181516 0.85 CA2 (0.57) STSCA2FAAHCA1CA9
SCHEMBL10181464 0.84 CA2 (0.54) STSCA2THRBCA1CA9
SCHEMBL10181519 0.83 PPARA (0.50) CA2CA1CA9FUT7
SCHEMBL7930478 0.83 CA2 (0.50) STSCA2FAAHTHRBCA1
SCHEMBL22666338 0.82 CA2 (0.49) STSCA2FAAHTHRBCA1
SCHEMBL10180116 0.81 CA2 (0.51) STSCA2THRBCA1CA9
SCHEMBL576305 0.80 CA2 (0.44) STSCA2CA1CA9KMT2A
SCHEMBL6231372 0.80 CA2 (0.50) STSCA2THRBCA1CA9
SCHEMBL9647425 0.80 CA2 (0.50) STSCA2THRBCA1CA9
SCHEMBL10180214 0.80 HTT (0.44) STSCA2FAAHTHRBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed