SCHEMBL7757183

SCHEMBL7757183

CC(C)c1ccc(S(=O)(=O)[O-])c(C(C)C)c1C(C)C.c1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2956694 0.85 ALDH1A1 (0.35)
SCHEMBL9164110 0.84 SLC9A1 (0.33) CA12CA1CA2CA9L3MBTL1
SCHEMBL1051065 0.82 CA12 (0.31) CA12CA1CA2CA9L3MBTL1
SCHEMBL2958639 0.77 ALDH1A1 (0.32) CA12CA1CA2CA9L3MBTL1
SCHEMBL5432922 0.75 LMNA (0.35) CA1CA2CA9
SCHEMBL2964610 0.74 MMP13 (0.37) L3MBTL1
Water SCHEMBL29592894 0.73 CA2 (0.34) CA12CA1CA2CA9L3MBTL1
SCHEMBL11297204 0.73 CA1 (0.38) CA12CA1CA2CA9L3MBTL1
Potassium Ion SCHEMBL7026962 0.73 CA1 (0.38) CA12CA1CA2CA9L3MBTL1
SCHEMBL2965483 0.72 ALDH1A1 (0.34)

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
WO-2001058862-A1 METHOD FOR PRODUCING DIARYLIODONIUM SULFONATES BAYER AKTIENGESELLSCHAFT (DE) 2001-08-16 WO disclosed