Gliotoxin

Gliotoxin

SCHEMBL6934245

CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3.NC(CCCC(=O)O)C(=O)O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 7/20 0.73
SUV39H1 O43463 2/20 0.73
PKM P14618 1/20 0.73
FNTA P49354 1/20 0.73
FNTB P49356 1/20 0.73
PGGT1B P53609 1/20 0.73
RNF31 Q96EP0 1/20 0.73
RBCK1 Q9BYM8 1/20 0.73
SHARPIN Q9H0F6 1/20 0.73
EP300 Q09472 3/20 0.36
NSD2 O96028 2/20 0.36
HIF1A Q16665 2/20 0.36
TXNRD1 Q16881 1/20 0.36
NSD1 Q96L73 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
HKDC1 Q2TB90 1/20 0.30
CREBBP Q92793 1/20 0.30

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
Gliotoxin SCHEMBL12618354 0.85 EHMT2 (1.00) EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL9667270 0.85 EHMT2 (1.00) EHMT2SUV39H1PKMFNTAFNTB
Gliotoxin SCHEMBL13341245 0.85 EHMT2 (1.00) EHMT2SUV39H1PKMFNTAFNTB
SCHEMBL14021819 0.78 EHMT2 (0.84) EHMT2SUV39H1PKMFNTAFNTB
SCHEMBL13824179 0.59 EHMT2 (0.53) EHMT2SUV39H1PKMFNTAFNTB
SCHEMBL19270615 0.59 EHMT2 (0.53) EHMT2SUV39H1PKMFNTAFNTB
Dimethylgliotoxin SCHEMBL18652995 0.58 EHMT2 (0.52) EHMT2SUV39H1PKMFNTAFNTB
(S)-2-Aminoadipic Acid SCHEMBL561980 0.57 GSR (0.73)
(S)-2-Aminoadipic Acid SCHEMBL41328 0.57 GSR (0.73)
(S)-2-Aminoadipic Acid SCHEMBL2022365 0.57 GSR (0.73)

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
EP-0922101-B1 EGF-LIKE FACTOR FROM CHROMAFFIN GRANULES AND GLIA CELL-DERIVED NEUROTROPHIC FACTOR WITH SURVIVAL-PROMOTING ACTIVITY ON DAERGIC NEURONS BIOPHARMGESELLSCHAFT ZUR BIOTE (DE) 2003-12-17 EP disclosed
EP-0922101-A1 EGF-LIKE FACTOR FROM CHROMAFFIN GRANULES AND GLIA CELL-DERIVED NEUROTROPHIC FACTOR WITH SURVIVAL-PROMOTING ACTIVITY ON DAERGIC NEURONS BIOPHARM Gesellschaft zur biotechnologischen Entwicklung und zum Vertrieb von Pharmaka mbH (DE) 1999-06-16 EP disclosed
WO-1998004688-A9 EGF-LIKE FACTOR FROM CHROMAFFIN GRANULES AND GLIA CELL-DERIVED NEUROTROPHIC FACTOR WITH SURVIVAL-PROMOTING ACTIVITY ON DAERGIC NEURONS 1998-04-23 WO disclosed
WO-1998004688-A1 EGF-LIKE FACTOR FROM CHROMAFFIN GRANULES AND GLIA CELL-DERIVED NEUROTROPHIC FACTOR WITH SURVIVAL-PROMOTING ACTIVITY ON DAERGIC NEURONS BIOPHARM GMBH (DE) 1998-02-05 WO disclosed