Acetylcysteine

Acetylcysteine

SCHEMBL1964700

CC(=O)NC(CS)C(=O)O.CCNC(CS)C(=O)O.CNC(CS)C(=O)O

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
MAPT P10636 1/20 0.68
THRB P10828 1/20 0.68
ALOX15 P16050 1/20 0.68
NFKB1 P19838 1/20 0.68
PTGS2 P35354 1/20 0.68
THPO P40225 1/20 0.68
RECQL P46063 1/20 0.68
BLM P54132 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
ACE P12821 1/20 0.45
ALDH1A1 P00352 1/20 0.43
FOLH1 Q04609 3/20 0.42
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
GNPAT O15228 1/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
ANPEP P15144 1/20 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
Acetylcysteine SCHEMBL1964701 1.00 KDM4E (0.68) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL499352 0.82
SCHEMBL1158100 0.82
SCHEMBL340834 0.82
Acetylcysteine SCHEMBL3923962 0.82 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL4437350 0.82 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL5291 0.82 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL149212 0.82 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL5292 0.82 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL4437351 0.82 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1

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-2011069197-A1 INHALABLE FORMULATIONS THE UNIVERSITY OF SYDNEY (AU) 2011-06-16 WO disclosed