SCHEMBL10179746

SCHEMBL10179746

CCCCCc1ccccc1OS(=O)(=O)CCC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
PPARA Q07869 2/20 0.43
LIPG Q9Y5X9 1/20 0.42
PPARG P37231 1/20 0.42
MGLL Q99685 1/20 0.42
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL9647422 0.98 THRA (0.51) THRATHRBALOX5PTGS2PPARA
SCHEMBL3692479 0.92 THRA (0.51) THRATHRBALOX5PTGS2PPARA
SCHEMBL10180566 0.90 THRA (0.51) THRATHRBALOX5PTGS2PPARA
SCHEMBL17599790 0.86 THRA (0.46) THRATHRBALOX5PTGS2PPARA
SCHEMBL11791849 0.85 THRA (0.52) THRATHRBALOX5PTGS2PPARA
SCHEMBL27764197 0.85 THRA (0.50) THRATHRBALOX5PTGS2PPARA
SCHEMBL27743309 0.85 THRA (0.50) THRATHRBALOX5PTGS2PPARA
SCHEMBL11654900 0.84 THRA (0.55) THRATHRBALOX5PTGS2PPARA
SCHEMBL8990627 0.84 THRA (0.55) THRATHRBALOX5PTGS2PPARA
SCHEMBL6838738 0.84 THRA (0.55) THRATHRBALOX5PTGS2PPARA

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