SCHEMBL10179776

SCHEMBL10179776

CC(C)(C)c1ccc(S(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 5/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
RECQL P46063 1/20 0.54
MLNR O43193 1/20 0.52
MAPT P10636 4/20 0.50
HSD11B1 P28845 1/20 0.47
LMNA P02545 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
IKBKB O14920 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
SCHEMBL10180018 0.85 TSHR (0.53) TSHRHSD17B10ALDH1A1RAB9ANPC1
SCHEMBL15803383 0.84 BCHE (0.60) TSHRALDH1A1RAB9ANPC1RECQL
SCHEMBL15803377 0.83 MLNR (0.53) ALDH1A1RAB9ANPC1MLNRMAPT
SCHEMBL28467941 0.82 TSHR (0.57) TSHRHSD17B10ALDH1A1MAPTHSD11B1
SCHEMBL10180460 0.81 TSHR (0.45) TSHRHSD17B10ALDH1A1RAB9ANPC1
Benzylsulfonylbenzene SCHEMBL780337 0.80 TSHR (0.68) TSHRHSD17B10ALDH1A1MAPTLMNA
SCHEMBL257997 0.79 MAPT (0.64) TSHRHSD17B10ALDH1A1RECQLMAPT
Benzylsulfonylbenzene SCHEMBL1877584 0.78 TSHR (0.66) TSHRHSD17B10ALDH1A1MAPTLMNA
SCHEMBL10180226 0.78 TSHR (0.61) TSHRHSD17B10ALDH1A1MAPTLMNA
SCHEMBL16886402 0.77 MAPT (0.50) TSHRHSD17B10ALDH1A1RAB9ANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109761863-B (E) - (2- (phenylsulfonyl) ethenyl) benzene and its derivative and synthetic method 湘潭大学 2020-10-02 CN claimed
CN-109761863-B (E) - (2- (phenylsulfonyl) ethenyl) benzene and its derivative and synthetic method 湘潭大学 2020-10-02 CN disclosed
CN-109761863-A (E)-(2-(phenyl sulfonyl) vinyl) benzene and its derivative and synthetic method 湘潭大学 2019-05-17 CN disclosed
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