N-Acetylglucosamine

SCHEMBL26105295

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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacA dacB dacC ftsI mrcA mrcB mrdA

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)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK1	P28482	2/20	0.55

▸	LMNA	P02545	2/20	0.53

▸	KDM4E	B2RXH2	1/20	0.53

▸	CYP2D6	P10635	1/20	0.53

▸	CYP2C19	P33261	1/20	0.53

▸	ALDH1A1	P00352	1/20	0.50

▸	THRB	P10828	1/20	0.50

▸	CA1	P00915	2/20	0.48

▸	CA2	P00918	2/20	0.48

▸	CA9	Q16790	2/20	0.48

▸	HK1	P19367	3/20	0.47

▸	HK2	P52789	3/20	0.47

▸	MMP12	P39900	1/20	0.43

▸	CD69	Q07108	1/20	0.43

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.

Compound	similarity	top predicted	shared targets
N-Acetylglucosamine SCHEMBL26106603	1.00	MAPK1 (0.55)	MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL27041116	0.91	MAPK1 (0.58)	MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL21073206	0.91	MAPK1 (0.58)	MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL19900501	0.91	MAPK1 (0.58)	MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL5466652	0.91	MAPK1 (0.58)	MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL28064772	0.91	MAPK1 (0.58)	MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL27491227	0.91	MAPK1 (0.58)	MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL19900502	0.91	MAPK1 (0.58)	MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL24105621	0.91	MAPK1 (0.63)	MAPK1LMNAKDM4ECYP2D6CYP2C19
N-Acetylglucosamine SCHEMBL25229254	0.91	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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2023074893-A1	CARTILAGE REGENERATION COMPOSITION	小林製薬株式会社	2023-05-04	—	—	WO	disclosed