Dimethylgliotoxin

Dimethylgliotoxin

SCHEMBL18652995

CS[C@]1(CO)C(=O)N2[C@H]3C(=CC=CC3O)C[C@@]2(SC)C(=O)N1C

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.52
SUV39H1 O43463 1/20 0.52
PKM P14618 1/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
PGGT1B P53609 1/20 0.52
RNF31 Q96EP0 1/20 0.52
RBCK1 Q9BYM8 1/20 0.52
SHARPIN Q9H0F6 1/20 0.52

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
Dimethylgliotoxin SCHEMBL13824181 1.00 EHMT2 (0.52) EHMT2SUV39H1PKMFNTAFNTB
Bis(Dethio)Bis(Methylthio)Gliotoxin SCHEMBL18652994 1.00 EHMT2 (0.52) EHMT2SUV39H1PKMFNTAFNTB
SCHEMBL13824179 0.77 EHMT2 (0.53) EHMT2SUV39H1PKMFNTAFNTB
SCHEMBL29940479 0.74 EHMT2 (0.40) EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL14986985 0.68 EHMT2 (1.00) EHMT2SUV39H1PKMFNTAFNTB
SCHEMBL12831774 0.68 EHMT2 (0.43) EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL9667270 0.68 EHMT2 (1.00) EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL12618354 0.68 EHMT2 (1.00) EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL14579856 0.68 EHMT2 (1.00) EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL13341245 0.68 EHMT2 (1.00) EHMT2SUV39H1PKMFNTAFNTB

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-2017049120-A1 METHODS AND COMPOSITIONS FOR DETECTING MYCOTOXINS MEDICAL SERVICE CONSULTATION INTERNATIONAL LLC (US) 2017-03-23 WO disclosed