N-Acetylglucosamine

N-Acetylglucosamine

SCHEMBL27041116

CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

nearest known ligand 0.58

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of N-Acetylglucosamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.58
▸ LMNA P02545 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ HK1 P19367 3/20 0.48
▸ HK2 P52789 3/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CD69 Q07108 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
N-Acetylglucosamine SCHEMBL19900502 1.00 MAPK1 (0.58) MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL28064772 1.00 MAPK1 (0.58) MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL27491227 1.00 MAPK1 (0.58) MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL19900501 1.00 MAPK1 (0.58) MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL5466652 1.00 MAPK1 (0.58) MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL21073206 1.00 MAPK1 (0.58) MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL24276732 0.94 MAPK1 (0.63) MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL24105621 0.94 MAPK1 (0.63) MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL20842453 0.94 MAPK1 (0.63) MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL25229254 0.94 MAPK1 (0.63) MAPK1LMNAKDM4ECYP2D6CYP2C19

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-2024018956-A1 ORAL COMPOSITION, AND METHOD FOR SUPPRESSING BITTERNESS ORIGINATING FROM ERGOTHIONEINE OR SALT THEREOF AND ODOR ORIGINATING FROM CHONDROITIN SULFATE OR SALT THEREOF サントリーホールディングス株式会社 2024-01-25 — — WO disclosed
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