SCHEMBL23552465

CC(=O)OC[C@H]1O[C@@H](OC2=C(C)O/C(=C3/CCOC(CC(=O)O[C@@H]4[C@@H](OC(C)=O)[C@H](OC5=C(C)OC(=C6CCNCC6)C5=O)O[C@H](COC(C)=O)[C@H]4OC(C)=O)C3)C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	P4HB	P07237	1/20	0.39

▸	PDIA4	P13667	1/20	0.39

▸	PDIA3	P30101	1/20	0.39

▸	CYP2D6	P10635	3/20	0.37

▸	THRB	P10828	1/20	0.37

▸	HSD17B10	Q99714	1/20	0.37

▸	CYP3A4	P08684	2/20	0.36

▸	KDM4E	B2RXH2	1/20	0.35

▸	ALDH1A1	P00352	1/20	0.35

▸	CA12	O43570	2/20	0.35

▸	CA1	P00915	2/20	0.35

▸	CA2	P00918	2/20	0.35

▸	CA4	P22748	2/20	0.35

▸	CA5A	P35218	2/20	0.35

▸	CA7	P43166	2/20	0.35

▸	CA5B	Q9Y2D0	2/20	0.35

▸	MEN1	O00255	1/20	0.35

▸	TP53	P04637	1/20	0.35

▸	KMT2A	Q03164	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
SCHEMBL23552427	0.89	P4HB (0.47)	P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL23552259	0.83	P4HB (0.48)	P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL23552429	0.82	CYP2D6 (0.40)	P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL23552312	0.81	P4HB (0.48)	P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL23552464	0.81	P4HB (0.47)	P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL25632667	0.80	P4HB (0.38)	P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL23552263	0.79	P4HB (0.45)	P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL23552261	0.76	P4HB (0.43)	P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL23552313	0.75	P4HB (0.42)	P4HBPDIA4PDIA3CYP2D6THRB
SCHEMBL25632654	0.73	P4HB (0.39)	P4HBPDIA4PDIA3CYP2D6THRB

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-2021121362-A1	FURANEOL GLYCOSIDE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF	复旦大学	2021-06-24	—	—	WO	disclosed