SCHEMBL10180608

SCHEMBL10180608

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.49
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RBP4 P02753 1/20 0.39
SLC22A12 Q96S37 7/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL16019355 0.84 MEN1 (0.40) HSD11B1TSHRALDH1A1TDP1MEN1
SCHEMBL6929900 0.82 CA2 (0.44) HSD11B1ALDH1A1MEN1KMT2ASLC22A12
SCHEMBL10179703 0.81 MEN1 (0.38) HSD11B1TSHRALDH1A1MEN1KMT2A
SCHEMBL10179989 0.81 HSD11B1 (0.44) HSD11B1TSHRALDH1A1TDP1MEN1
SCHEMBL9360088 0.78 HSD11B1 (0.54) HSD11B1TSHRALDH1A1TDP1MEN1
SCHEMBL9965492 0.77 HSD11B1 (0.47) HSD11B1TSHRALDH1A1TDP1MEN1
SCHEMBL7809492 0.76 HSD11B1 (0.45) HSD11B1TSHRALDH1A1TDP1MEN1
SCHEMBL856017 0.75 KMT2A (0.55) HSD11B1ALDH1A1MEN1KMT2ASLC22A12
SCHEMBL28318013 0.75 HSD11B1 (0.45) HSD11B1TSHRALDH1A1TDP1MEN1
SCHEMBL10179991 0.75 HSD11B1 (0.45) HSD11B1TSHRALDH1A1TDP1MEN1

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