SCHEMBL29425763

C[C@]1(OC(=O)/C=C/c2ccccc2)C[C@@H](O)[C@]2([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21

nearest known ligand 0.80

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	1/20	0.80

▸	TSHR	P16473	1/20	0.80

▸	KDM4E	B2RXH2	1/20	0.58

▸	GLA	P06280	1/20	0.58

▸	CYP3A4	P08684	1/20	0.58

▸	HSP90AA1	P07900	4/20	0.46

▸	ELANE	P08246	1/20	0.38

▸	SMN1; SMN2	Q16637	1/20	0.37

▸	POLB	P06746	1/20	0.36

▸	CTDSP1	Q9GZU7	1/20	0.36

▸	XDH	P47989	1/20	0.36

▸	SNCA	P37840	1/20	0.36

▸	MAPT	P10636	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

▸	CA9	Q16790	2/20	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
Harpagoside SCHEMBL893387	0.89	ALDH1A1 (1.00)	ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL6847752	0.83	ALDH1A1 (0.88)	ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL30089774	0.80	ALDH1A1 (0.71)	ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL23187825	0.76	ALDH1A1 (0.65)	ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL12902775	0.74	KDM4E (1.00)	ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL23720483	0.72	ALDH1A1 (0.71)	ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL24278467	0.72	ALDH1A1 (0.71)	ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL29727271	0.72	ALDH1A1 (0.71)	ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL29208523	0.72	ALDH1A1 (0.71)	ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL29425887	0.72	ALDH1A1 (0.71)	ALDH1A1TSHRKDM4EGLACYP3A4

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