SCHEMBL31053942

CC1=CC(=O)CC(C)(C)[C@H]1CC[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ACHE	P22303	2/20	0.42

▸	TYR	P14679	6/20	0.41

▸	CA12	O43570	1/20	0.41

▸	CA1	P00915	1/20	0.41

▸	CA2	P00918	1/20	0.41

▸	CA9	Q16790	1/20	0.41

▸	POLB	P06746	1/20	0.39

▸	GAA	P10253	1/20	0.39

▸	EPHX2	P34913	3/20	0.38

▸	CDK1	P06493	1/20	0.38

▸	CCNB1	P14635	1/20	0.38

▸	BACE1	P56817	1/20	0.35

▸	ENGASE	Q8NFI3	1/20	0.35

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
SCHEMBL30153685	0.94	TYR (0.45)	TYRCA12CA1CA2CA9
SCHEMBL38650628	0.85	ACHE (0.46)	ACHECA12CA1CA2CA9
SCHEMBL30712748	0.85	ACHE (0.46)	ACHECA12CA1CA2CA9
SCHEMBL31229542	0.84	TYR (0.44)	TYRPOLBGAA
SCHEMBL30143777	0.82	TYR (0.40)	TYRPOLBGAA
SCHEMBL31253175	0.73	POLB (0.46)	TYRPOLBGAA
SCHEMBL30712746	0.72	ACHE (0.46)	ACHETYRCA1CA2CA9
SCHEMBL29934936	0.70	PTPN1 (0.42)	ACHECA12CA1CA2CA9
SCHEMBL26230451	0.69	TYR (0.47)	ACHETYRGAACDK1CCNB1
SCHEMBL25142229	0.69	GAA (0.54)	ACHETYRCA12CA1CA2

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-118634256-A	Preparation method of holly extract	浙江理工大学绍兴生物医药研究院有限公司	2024-09-13	—	—	CN	disclosed