SCHEMBL28072084

SCHEMBL28072084

CCCCCCCCCCCCS(=O)(=O)OC(=O)CN

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.41
HTR2C P28335 1/20 0.41
FAAH O00519 5/20 0.41
CA9 Q16790 4/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CES2 O00748 5/20 0.39
CES1 P23141 4/20 0.39
CA1 P00915 3/20 0.37
NAAA Q02083 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
SCHEMBL10890971 0.98 HTR2C (0.39) CA2HTR2CFAAHCA9CA12
SCHEMBL6578152 0.86 CES2 (0.41) CA2HTR2CFAAHCA9CA12
SCHEMBL8364456 0.85 NAAA (0.48) CA2FAAHCA9CA12CA7
SCHEMBL9097097 0.85 CES2 (0.46) CA2FAAHCA9CA12CA7
SCHEMBL9097583 0.85 CES2 (0.46) CA2FAAHCA9CA12CA7
SCHEMBL4621658 0.85 CES2 (0.46) CA2FAAHCA9CA12CA7
SCHEMBL9095203 0.85 CES2 (0.46) CA2FAAHCA9CA12CA7
SCHEMBL9095001 0.85 CES2 (0.46) CA2FAAHCA9CA12CA7
SCHEMBL9094766 0.85 CES2 (0.46) CA2FAAHCA9CA12CA7
SCHEMBL9097723 0.85 CES2 (0.46) CA2FAAHCA9CA12CA7

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
CN-103282015-B Dissolvable fibrous web structure articles comprising active agents 宝洁公司 2016-10-05 CN disclosed