SCHEMBL7930478

SCHEMBL7930478

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
STS P08842 4/20 0.49
FAAH O00519 1/20 0.49
THRB P10828 2/20 0.48
ALDH1A1 P00352 2/20 0.47
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
THRA P10827 1/20 0.46
FUT7 Q11130 1/20 0.44
RARB P10826 1/20 0.44
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43

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
SCHEMBL22666338 0.98 CA2 (0.49) CA2STSFAAHTHRBALDH1A1
SCHEMBL2829918 0.95 CA2 (0.49) CA2STSFAAHTHRBALDH1A1
SCHEMBL8552231 0.94 RARB (0.52) CA2STSFAAHTHRBALDH1A1
SCHEMBL27454463 0.94 CA2 (0.47) CA2STSFAAHTHRBALDH1A1
SCHEMBL17847695 0.88 CA2 (0.46) CA2STSCA1CA9
SCHEMBL10179769 0.86 STS (0.49) CA2STSFAAHTHRBALDH1A1
SCHEMBL9698561 0.86 FUT7 (0.45) CA2STSFAAHTHRBCA1
SCHEMBL9698633 0.86 FUT7 (0.45) CA2STSFAAHTHRBCA1
SCHEMBL31195751 0.86 FUT7 (0.45) CA2STSFAAHTHRBCA1
SCHEMBL19796243 0.85 RARB (0.47) CA2FAAHTHRBALDH1A1CA1

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
CN-101735822-B Preparation and use of low-temperature low-viscosity liquid crystal compositions UNIV WUHAN POLYTECHNIC 2015-04-29 CN disclosed
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
CN-101735822-A Preparation and use of low-temperature low-viscosity liquid crystal compositions UNIV WUHAN POLYTECHNIC 2010-06-16 CN disclosed
US-RE37087-E1 1-(4-ETHOXYPHENYL)-4-(4-FLUORO-3-PHENOXYPHENYL)-1 -TRIFLUOROMETHYLBUTANE OR 1-(4-ETHOXY-3-FLUOROPHENYL)-4-(3-PHENOXYPHENYL)-1-TRIFLUOROMETHYLBUTANE, FOR EXAMPLE; COMBATS INSECTS AND MITES SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed