SCHEMBL10180973

SCHEMBL10180973

CCCCCc1ccccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
PPARA Q07869 3/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
PPARG P37231 2/20 0.43
MGLL Q99685 1/20 0.43
KCNH2 Q12809 6/20 0.42
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41

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
SCHEMBL8099840 0.99 THRA (0.49) THRATHRBPPARADRD2DRD1
Iodide SCHEMBL6941466 0.97 THRA (0.48) THRATHRBPPARADRD2DRD1
SCHEMBL2829914 0.95 DRD2 (0.44) THRATHRBPPARADRD2DRD1
Iodide SCHEMBL9652564 0.94 DRD2 (0.44) THRATHRBPPARADRD2DRD1
SCHEMBL4376769 0.89 DRD2 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10180862 0.89 THRA (0.45) THRATHRBPPARAALOX5PTGS2
Diphenylsulfane SCHEMBL5145134 0.88 DRD2 (0.40) THRATHRBPPARADRD2DRD1
Iodide SCHEMBL8734866 0.87 PPARA (0.42) THRATHRBPPARADRD2DRD1
Iodide SCHEMBL8737228 0.87 PPARA (0.42) THRATHRBPPARADRD2DRD1
SCHEMBL14157502 0.86 PPARA (0.47) THRATHRBPPARADRD2DRD3

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