SCHEMBL3139879

SCHEMBL3139879

CCCCOc1ccc(S(OS(=O)(=O)c2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
LTA4H P09960 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
CNR2 P34972 1/20 0.44
ABCB1 P08183 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KAT6A Q92794 1/20 0.43

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
SCHEMBL3139975 0.85 TSHR (0.46) TSHRCA12CA1CA2CA7
SCHEMBL3132642 0.85 CYP1A2 (0.38) TSHRCA12CA1CA2CA7
SCHEMBL2962485 0.84 VDR (0.49) CA12CA1CA2CA7CA9
SCHEMBL2955938 0.84 VDR (0.49) CA12CA1CA2CA7CA9
SCHEMBL3144536 0.84 VDR (0.49) CA12CA1CA2CA7CA9
SCHEMBL2964106 0.84 VDR (0.49) CA12CA1CA2CA7CA9
SCHEMBL64190 0.84 VDR (0.49) CA12CA1CA2CA7CA9
SCHEMBL2963871 0.84 CNR2 (0.57) TSHRCA2SMN1; SMN2ALDH1A1HTT
SCHEMBL2966134 0.82 CNR2 (0.52) TSHRCA12CA1CA2CA9
SCHEMBL2967122 0.82 CNR2 (0.52) TSHRCA12CA1CA2CA9

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
EP-1676835-B1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT WAKO PURE CHEM IND LTD (JP) 2014-12-10 EP disclosed
US-7642368-B2 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-05 US disclosed
EP-1676835-A1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2006-07-05 EP disclosed