Acetylcysteine

Acetylcysteine

SCHEMBL4428940

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

nearest known ligand 0.68

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
KDM4E B2RXH2 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 7/20 0.45
ALDH1A1 P00352 2/20 0.43
FOLH1 Q04609 1/20 0.42

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 SCHEMBL4428938 1.00 MAPT (0.68) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL221191 0.92 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4456772 0.92 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL221192 0.92 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL663702 0.83 MAPT (0.84) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL4437351 0.82 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL149212 0.82 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL3688241 0.82 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL5292 0.82 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL5291 0.82 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2068903-A2 S-NITROSOTHIOL COMPOUNDS AND RELATED DERIVATIVES Galleon Pharmaceuticals, Inc. (US) 2009-06-17 EP disclosed
WO-2008066603-A2 S-NITROSOTHIOL COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed