SCHEMBL10180663

SCHEMBL10180663

CC(C)Cc1ccc(S(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.48
RORC P51449 2/20 0.44
NR1I2 O75469 1/20 0.44
RORA P35398 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
RORB Q92753 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL10180846 0.83 TSHR (0.45) TSHRHSD17B10MAPTALDH1A1
SCHEMBL24931278 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ERORCNR1I2RORA
SCHEMBL28110841 0.81 MAPT (0.53) TSHRHSD17B10MAPTALDH1A1
SCHEMBL10180212 0.81 TSHR (0.57) TSHRHSD17B10MAPT
SCHEMBL10181468 0.80 HTR6 (0.55) TSHRALDH1A1KDM4E
SCHEMBL10180226 0.80 TSHR (0.61) TSHRHSD17B10MAPTALDH1A1KDM4E
SCHEMBL10180353 0.80 PSIP1 (0.59) TSHRALDH1A1KDM4ERORC
Benzylsulfonylbenzene SCHEMBL780337 0.79 TSHR (0.68) TSHRHSD17B10MAPTALDH1A1
SCHEMBL160854 0.78 TSHR (0.62) TSHRHSD17B10MAPTKDM4E
SCHEMBL257997 0.78 MAPT (0.64) TSHRHSD17B10MAPTALDH1A1

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