SCHEMBL7846186

SCHEMBL7846186

CCCCCS(=O)(=O)C(CCCC)OC(CCCC)S(=O)(=O)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.46
FAAH O00519 2/20 0.40
TP53 P04637 1/20 0.35
DNM1 Q05193 2/20 0.34
CA1 P00915 7/20 0.33
CA9 Q16790 7/20 0.33
CA12 O43570 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32

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
SCHEMBL8941683 0.76 TP53 (0.34) CA2TP53DNM1CA1CA9
SCHEMBL420985 0.74 TP53 (0.42) CA2TP53CA1
SCHEMBL419967 0.72 TP53 (0.50) TP53CA1
SCHEMBL7740349 0.72 CA2 (0.57) CA2FAAHTP53DNM1
SCHEMBL11566341 0.72 CA2 (0.52) CA2FAAHTP53DNM1CA1
SCHEMBL9464587 0.72 CA2 (0.47) CA2FAAHTP53DNM1
SCHEMBL8594180 0.72 CA2 (0.56) CA2FAAHTP53
SCHEMBL11045410 0.71 CA2 (0.50) CA2FAAHTP53CA1CA9
SCHEMBL754171 0.71 TP53 (0.48) CA2TP53CA1
SCHEMBL754167 0.71 TP53 (0.48) CA2TP53CA1

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
JP-2001106668-A PRODUCTION OF BIS[(ARYLSULFONYL)ARYL] ETHER COMPOUNDS MITSUI CHEMICALS INC 2001-04-17 JP disclosed