SCHEMBL24689528

CO[C@@H]1C(C(=O)O)O[C@@H](O[C@@H]2C(NC(C)=O)[C@H](O[C@@H]3C(C(=O)O)O[C@@H](OC4C(NC(C)=O)[C@H](O)OC(CO)[C@H]4O)C(O)C3O)OC(CO)[C@H]2O)C(O)C1O

nearest known ligand 0.52

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK1	P28482	1/20	0.52

▸	BDNF	P23560	3/20	0.49

▸	MDK	P21741	3/20	0.49

▸	PTN	P21246	2/20	0.49

▸	LGALS3	P17931	6/20	0.47

▸	LGALS8	O00214	2/20	0.44

▸	LGALS4	P56470	1/20	0.44

▸	CD69	Q07108	1/20	0.44

▸	F10	P00742	1/20	0.42

▸	LGALS1	P09382	1/20	0.41

▸	LGALS7; LGALS7B	P47929	1/20	0.41

▸	ALDH1A1	P00352	1/20	0.40

▸	THRB	P10828	1/20	0.40

▸	LGALS9	O00182	1/20	0.40

▸	CHIA	Q9BZP6	1/20	0.40

▸	FGF1	P05230	1/20	0.40

▸	NOD2	Q9HC29	1/20	0.40

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
SCHEMBL24673751	0.96	MAPK1 (0.56)	MAPK1BDNFMDKPTNLGALS3
SCHEMBL19012241	0.96	MAPK1 (0.56)	MAPK1BDNFMDKPTNLGALS3
SCHEMBL14497205	0.94	BDNF (0.50)	MAPK1BDNFMDKPTNLGALS3
SCHEMBL24844372	0.94	BDNF (0.50)	MAPK1BDNFMDKPTNLGALS3
SCHEMBL25785578	0.94	BDNF (0.50)	MAPK1BDNFMDKPTNLGALS3
SCHEMBL24484198	0.93	MDK (0.53)	MAPK1BDNFMDKPTNLGALS3
SCHEMBL22071113	0.93	MDK (0.53)	MAPK1BDNFMDKPTNLGALS3
SCHEMBL6748051	0.93	MDK (0.53)	MAPK1BDNFMDKPTNLGALS3
SCHEMBL20516492	0.93	MDK (0.53)	MAPK1BDNFMDKPTNLGALS3
SCHEMBL932879	0.93	MDK (0.53)	MAPK1BDNFMDKPTNLGALS3

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-2022189517-A1	PACKAGING SOLUTIONS	BAUSCH + LOMB IRELAND LIMITED (IE)	2022-09-15	—	—	WO	disclosed