SCHEMBL29425896

C/C=C1\[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC/C=C1\[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)OC)[C@@H](CC(=O)OC)/C2=C\C)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	IL2	P60568	1/20	0.71

▸	BACE1	P56817	1/20	0.65

▸	MAPT	P10636	2/20	0.64

▸	POLB	P06746	2/20	0.64

▸	KDM4E	B2RXH2	1/20	0.64

▸	GAA	P10253	1/20	0.64

▸	NPSR1	Q6W5P4	1/20	0.64

▸	STAT3	P40763	13/20	0.44

▸	MEN1	O00255	1/20	0.42

▸	KMT2A	Q03164	1/20	0.42

▸	CTDSP1	Q9GZU7	1/20	0.41

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
SCHEMBL29426120	1.00	IL2 (0.71)	IL2BACE1MAPTPOLBKDM4E
SCHEMBL29426103	0.97	BACE1 (0.68)	IL2BACE1MAPTPOLBKDM4E
Oleoside Dimethyl Ester SCHEMBL19831306	0.90	BACE1 (0.71)	IL2BACE1MAPTPOLBKDM4E
Oleoside Dimethyl Ester SCHEMBL29425902	0.90	BACE1 (0.71)	IL2BACE1MAPTPOLBKDM4E
Oleoside Dimethyl Ester SCHEMBL21324467	0.90	BACE1 (0.71)	IL2BACE1MAPTPOLBKDM4E
Excelside A SCHEMBL29425857	0.89	IL2 (0.72)	IL2BACE1MAPTPOLBKDM4E
SCHEMBL12405934	0.85	BACE1 (0.75)	IL2BACE1MAPTPOLBKDM4E
SCHEMBL23494908	0.83	BACE1 (0.67)	IL2BACE1MAPTPOLBKDM4E
SCHEMBL29425877	0.83	BACE1 (0.67)	IL2BACE1MAPTPOLBKDM4E
SCHEMBL29426034	0.83	BACE1 (0.67)	IL2BACE1MAPTPOLBKDM4E

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
EP-3409766-B1	AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS	N ZYME BIOTEC GMBH (DE)	2022-03-09	—	—	EP	disclosed