SCHEMBL29908269

CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@@H](OS(=O)(=O)O)[C@@H](CO)OC(O)[C@@H]5NC(C)=O)O[C@H]4C(=O)O)O[C@H](CO)[C@@H]3OS(=O)(=O)O)O[C@H]2C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	MDK	P21741	5/20	0.54

▸	BDNF	P23560	3/20	0.54

▸	PTN	P21246	2/20	0.54

▸	F10	P00742	1/20	0.48

▸	MAPK1	P28482	2/20	0.46

▸	LGALS3	P17931	2/20	0.45

▸	LGALS8	O00214	1/20	0.45

▸	LGALS4	P56470	1/20	0.45

▸	CD69	Q07108	1/20	0.45

▸	CHIA	Q9BZP6	1/20	0.43

▸	ALDH1A1	P00352	1/20	0.42

▸	THRB	P10828	1/20	0.42

▸	HPSE	Q9Y251	2/20	0.41

▸	F2	P00734	1/20	0.39

▸	SERPINC1	P01008	1/20	0.39

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
SCHEMBL13321878	0.94	MDK (0.61)	MDKBDNFPTNF10MAPK1
SCHEMBL29371806	0.94	MDK (0.61)	MDKBDNFPTNF10MAPK1
SCHEMBL29535260	0.88	MDK (0.53)	MDKBDNFPTNF10MAPK1
SCHEMBL29531877	0.88	MDK (0.53)	MDKBDNFPTNF10MAPK1
SCHEMBL18079769	0.88	MDK (0.53)	MDKBDNFPTNF10MAPK1
SCHEMBL5790851	0.88	MDK (0.53)	MDKBDNFPTNF10MAPK1
SCHEMBL31682928	0.87	MAPK1 (0.53)	MDKBDNFPTNF10MAPK1
Dermatan Sulfate SCHEMBL15144387	0.86	MDK (0.54)	MDKBDNFPTNF10LGALS3
Dermatan Sulfate SCHEMBL10157447	0.86	MDK (0.54)	MDKBDNFPTNF10LGALS3
Dermatan Sulfate SCHEMBL25645152	0.86	MDK (0.54)	MDKBDNFPTNF10LGALS3

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
CN-114994219-A	Chemical characterization method of polygonatum odoratum polysaccharide	天津中医药大学	2022-09-02	—	—	CN	disclosed