SCHEMBL29426053

CSC(=O)OCC1=C[C@H](O)[C@@H]2C(C(=O)O[C@H]3[C@H](O[C@@H]4OC=C5C(=O)O[C@H]6C=C(CO)[C@@H]4[C@@H]56)O[C@H](CO)[C@@H](O)[C@@H]3O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12

nearest known ligand 0.52

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ELANE	P08246	1/20	0.44

▸	L3MBTL1	Q9Y468	1/20	0.40

▸	PTPN1	P18031	6/20	0.38

▸	STAT3	P40763	8/20	0.36

▸	MEN1	O00255	1/20	0.36

▸	MAPT	P10636	1/20	0.36

▸	KMT2A	Q03164	1/20	0.36

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
SCHEMBL419331	0.98	ELANE (0.41)	ELANEL3MBTL1PTPN1STAT3MEN1
SCHEMBL424543	0.96	ELANE (0.44)	ELANEL3MBTL1PTPN1STAT3MEN1
SCHEMBL422234	0.94	ELANE (0.41)	ELANEL3MBTL1PTPN1STAT3MEN1
SCHEMBL421492	0.89	ELANE (0.47)	ELANEL3MBTL1PTPN1STAT3MEN1
Paederoside SCHEMBL422181	0.88	STAT3 (0.41)	ELANEL3MBTL1PTPN1STAT3MEN1
SCHEMBL424407	0.83	MAPT (0.44)	ELANEL3MBTL1PTPN1STAT3MEN1
SCHEMBL29425847	0.81	ELANE (0.53)	ELANESTAT3MEN1MAPTKMT2A
SCHEMBL28912673	0.81	ELANE (0.53)	ELANESTAT3MEN1MAPTKMT2A
SCHEMBL423645	0.80	ELANE (0.46)	ELANEL3MBTL1PTPN1STAT3MEN1
Deacetylasperuloside SCHEMBL29367563	0.80	L3MBTL1 (0.53)	ELANEL3MBTL1PTPN1STAT3MEN1

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