SCHEMBL7102153

SCHEMBL7102153

Cc1ccc(S(=O)(=O)OSc2c(C)cc(C)cc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 4/20 0.53
FFAR4 Q5NUL3 7/20 0.50
GAA P10253 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
CYTH2 Q99418 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
VDR P11473 1/20 0.38
DNMT1 P26358 1/20 0.38
KMT2A Q03164 1/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL9435856 0.79 GAA (0.52) RAPGEF4FFAR4GAACA12CA1
SCHEMBL23241350 0.78 DNMT1 (0.52) FFAR4GAACA12CA1CA2
SCHEMBL11587905 0.74 GAA (0.50) RAPGEF4FFAR4GAACA12CA1
SCHEMBL28584784 0.73 RAPGEF4 (0.53) RAPGEF4FFAR4GAACA12CA1
SCHEMBL29222769 0.72 FFAR4 (0.45) FFAR4CYTH2VDRKMT2A
SCHEMBL7141187 0.71 KMT2A (0.44) GAACA12CA1CA2CA3
SCHEMBL4399474 0.70 ACHE (0.50) RAPGEF4FFAR4GABRG2GABRB3GABRA3
SCHEMBL9001218 0.70 RAPGEF4 (1.00) RAPGEF4FFAR4GAAKMT2A
SCHEMBL11599849 0.69 GAA (0.45) GAACA12CA1CA2CA3
SCHEMBL14894834 0.69 BCHE (0.49) GAACA1CA2CA9DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113005-B1 Sulfonium salt compounds WAKO PURE CHEM IND LTD (JP) 2003-08-06 EP claimed