SCHEMBL10179989

SCHEMBL10179989

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.44
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RBP4 P02753 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC22A12 Q96S37 6/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
NFE2L2 Q16236 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL10180622 0.85 LMNA (0.37) HSD11B1MEN1KMT2AALDH1A1TSHR
SCHEMBL10180608 0.81 HSD11B1 (0.49) HSD11B1MEN1KMT2ARBP4ALDH1A1
SCHEMBL10179596 0.79 HSD11B1 (0.47) HSD11B1MEN1KMT2AALDH1A1NPSR1
SCHEMBL10180860 0.76 HSD11B1 (0.47) HSD11B1MEN1KMT2AALDH1A1TSHR
SCHEMBL10179881 0.75 HSD11B1 (0.38) HSD11B1KMT2AALDH1A1TDP1CA9
SCHEMBL10181389 0.73 GABRA1 (0.37) HSD11B1CA2
SCHEMBL10179991 0.73 HSD11B1 (0.45) HSD11B1MEN1KMT2ARBP4ALDH1A1
SCHEMBL10181526 0.72 HSD11B1 (0.36) HSD11B1ALDH1A1CYP3A4CYP2D6
SCHEMBL10180083 0.72 TSHR (0.42) HSD11B1TSHRCA2CA1
SCHEMBL9360088 0.72 HSD11B1 (0.54) HSD11B1MEN1KMT2ARBP4ALDH1A1

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