SCHEMBL10179596

SCHEMBL10179596

CCc1ccccc1S(=O)(=O)C(F)(F)CF

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
CTSB P07858 1/20 0.44
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
ALDH1A1 P00352 1/20 0.35
PDK2 Q15119 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KAT6A Q92794 1/20 0.32
PSIP1 O75475 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
DDR1 Q08345 2/20 0.31

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
SCHEMBL10179881 0.88 HSD11B1 (0.38) HSD11B1CTSBALDH1A1KAT6AKMT2A
SCHEMBL10181526 0.85 HSD11B1 (0.36) HSD11B1CTSBALDH1A1
SCHEMBL10181389 0.83 GABRA1 (0.37) HSD11B1GABRA1GABRB2
SCHEMBL10180311 0.83 HSD11B1 (0.50) HSD11B1CTSBGABRA1GABRB2LOXL2
SCHEMBL10179989 0.79 HSD11B1 (0.44) HSD11B1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL10180622 0.78 LMNA (0.37) HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL10180860 0.76 HSD11B1 (0.47) HSD11B1GABRA1GABRB2ALDH1A1MEN1
SCHEMBL10180083 0.76 TSHR (0.42) HSD11B1
SCHEMBL10179598 0.73 HSD11B1 (0.48) HSD11B1CTSBGABRA1GABRB2LOXL2
SCHEMBL1345291 0.72 CTSB (0.52) HSD11B1CTSBGABRA1GABRB2LOXL2

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