Acetylcysteine

Acetylcysteine

SCHEMBL4452370

CC(=O)NC(CS)C(=O)O.N[C@@H](CS)C(=O)O.N[C@H](CO)C(=O)O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

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
PTGS1 P23219 2/20 0.52
SLC7A11 Q9UPY5 1/20 0.52
ACE P12821 1/20 0.45
ALDH1A1 P00352 1/20 0.43
FOLH1 Q04609 1/20 0.39
TGFBR1 P36897 3/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GNPAT O15228 1/20 0.35

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 SCHEMBL4448262 0.97 KDM4E (0.72) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL5422065 0.97 KDM4E (0.72) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL9133375 0.94 KDM4E (0.68) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL1069666 0.93 KDM4E (0.78) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL28429060 0.93 KDM4E (0.78) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL7934239 0.93 KDM4E (0.78) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL14775437 0.93 KDM4E (0.78) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL5905824 0.92 KDM4E (0.75) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL4404186 0.92 KDM4E (0.75) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL4404187 0.92 KDM4E (0.75) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190240169-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS UTILIZING A D-AMINO ACID AAS, LLC (US) 2019-08-08 US disclosed
US-10265278-B2 Pharmaceutical compositions and methods utilizing a D-amino acid AMINO ACID SOLUTIONS, INC. 2019-04-23 US disclosed
US-20170157066-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS UTILIZING A D-AMINO ACID AAS, LLC (US) 2017-06-08 US disclosed
EP-2249822-B1 PHARMACEUTICAL COMPOSITIONS AND METHODS UTILIZING A D-AMINO ACID AND AN ANTIOXIDANT FOR TREATING NEUROPSYCHIATRIC DISORDERS AMINO ACID SOLUTIONS INC (US) 2016-01-06 EP disclosed
US-20090176715-A1 Pharmaceutical Compositions and Methods Utilizing a D-Amino Acid AMINO ACIDS SOLUTIONS INC. (US) 2009-07-09 US disclosed