SCHEMBL6765040

SCHEMBL6765040

Cc1cc(C)c(S(OS(=O)(=O)c2cccc3ccccc23)(c2ccccc2)c2ccccc2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
NR3C1 P04150 1/20 0.40
NR3C2 P08235 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
F2 P00734 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
HTR6 P50406 2/20 0.37
MAPT P10636 2/20 0.36
RAPGEF4 Q8WZA2 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL6762786 0.84 CA1 (0.42) PGRCA1CA2CA9F2
SCHEMBL598024 0.83 CA1 (0.50) PGRCA1CA2CA9F2
SCHEMBL58786 0.82 FFAR4 (0.47) PGRNR3C1NR3C2FFAR4MAPT
SCHEMBL547991 0.79 MEN1 (0.48) PGRNR3C1NR3C2FFAR4F2
SCHEMBL2679026 0.78 RAPGEF4 (0.51) CA1CA2CA9FFAR4CYP1A2
SCHEMBL5398449 0.78 FFAR4 (0.39) PGRFFAR4MAPTRAPGEF4HTT
SCHEMBL3137513 0.77 HTR6 (0.42) CA1CA2CA9F2HTR6
SCHEMBL3181566 0.77 KMT2A (0.41) PGRNR3C1NR3C2FFAR4CYP1A2
SCHEMBL4581355 0.77 FFAR4 (0.49) PGRNR3C1NR3C2CA1CA2
SCHEMBL5066022 0.76 FFAR4 (0.47) PGRNR3C1NR3C2FFAR4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723483-B1 Sulfonium salt compounds WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1113005-B1 Sulfonium salt compounds WAKO PURE CHEM IND LTD (JP) 2003-08-06 EP disclosed
EP-1238969-A2 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2002-09-11 EP disclosed
EP-1113005-A1 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2001-07-04 EP disclosed