Acetylcysteine

Acetylcysteine

SCHEMBL27772811

CC(=O)NC(CS)C(=O)O.NCCCC(N)C(=O)O

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
MAPT P10636 1/20 0.64
THRB P10828 1/20 0.64
ALOX15 P16050 1/20 0.64
NFKB1 P19838 1/20 0.64
PTGS2 P35354 1/20 0.64
THPO P40225 1/20 0.64
RECQL P46063 1/20 0.64
BLM P54132 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
GSR P00390 1/20 0.51
CPB2 Q96IY4 2/20 0.45
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
NOS2 P35228 3/20 0.44
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
ACE P12821 1/20 0.42
PTGS1 P23219 2/20 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 SCHEMBL893717 0.95 BLM (0.62) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL663169 0.95 BLM (0.62) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL663170 0.95 BLM (0.62) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL9016357 0.86 ALOX15 (0.70) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL28342967 0.86 ALOX15 (0.70) KDM4EMAPTTHRBALOX15NFKB1
Lysine SCHEMBL18006518 0.84 GSR (0.65) KDM4EMAPTTHRBALOX15NFKB1
Lysine SCHEMBL18006519 0.84 GSR (0.65) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL7934239 0.84 KDM4E (0.78) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL1069666 0.84 KDM4E (0.78) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL28429060 0.84 KDM4E (0.78) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101664384-B N-acetyl-cysteine salt xylitol injection, preparation method and application thereof SIXTH PEOPLE S HOSPITAL OF HANGZHOU 2011-09-14 CN claimed
CN-101664384-A N-acetyl-cysteine salt xylitol injection, preparation method and application thereof SIXTH PEOPLE S HOSPITAL OF HAN 2010-03-10 CN claimed
CN-101664384-B N-acetyl-cysteine salt xylitol injection, preparation method and application thereof SIXTH PEOPLE S HOSPITAL OF HANGZHOU 2011-09-14 CN disclosed
CN-101664384-A N-acetyl-cysteine salt xylitol injection, preparation method and application thereof SIXTH PEOPLE S HOSPITAL OF HAN 2010-03-10 CN disclosed