SCHEMBL10179991

SCHEMBL10179991

CC(C)(C)c1ccccc1S(=O)(=O)CC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RBP4 P02753 1/20 0.36
SLC22A12 Q96S37 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA2 P00918 2/20 0.33
PLCG1 P19174 1/20 0.33
CA1 P00915 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL10180624 0.84 MEN1 (0.36) HSD11B1MEN1KMT2AALDH1A1NPC1
SCHEMBL10179719 0.80 PSIP1 (0.46) HSD11B1MEN1KMT2AALDH1A1NPC1
SCHEMBL10179598 0.78 HSD11B1 (0.48) HSD11B1KMT2AALDH1A1
SCHEMBL777992 0.77 HSD11B1 (0.41) HSD11B1KMT2ATDP1SLC22A12
SCHEMBL10180861 0.76 HSD11B1 (0.49) HSD11B1ALDH1A1NPC1TSHRCA2
SCHEMBL10180608 0.75 HSD11B1 (0.49) HSD11B1MEN1KMT2AALDH1A1TSHR
SCHEMBL10180589 0.74 TSHR (0.54) MEN1KMT2AALDH1A1RAB9ATSHR
SCHEMBL10179882 0.74 HSD11B1 (0.38) HSD11B1CA9RIPK1
SCHEMBL10181390 0.74 GABRA1 (0.39) HSD11B1ALDH1A1CA2
SCHEMBL9360088 0.73 HSD11B1 (0.54) HSD11B1MEN1KMT2AALDH1A1TSHR

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