SCHEMBL29425876

C[C@@H]1O[C@@H](O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1

nearest known ligand 0.84

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	HSP90AA1	P07900	9/20	0.84

▸	XDH	P47989	1/20	0.68

▸	CYP3A4	P08684	2/20	0.45

▸	KDM4E	B2RXH2	1/20	0.45

▸	GLA	P06280	1/20	0.45

▸	ALDH1A1	P00352	2/20	0.43

▸	ALOX15	P16050	1/20	0.43

▸	MAPK1	P28482	1/20	0.43

▸	HSD17B10	Q99714	1/20	0.43

▸	L3MBTL1	Q9Y468	2/20	0.42

▸	KDM1A	O60341	1/20	0.42

▸	PRKCA	P17252	1/20	0.42

▸	BACE1	P56817	1/20	0.42

▸	SMN1; SMN2	Q16637	1/20	0.40

▸	TSHR	P16473	1/20	0.40

▸	CBS	P35520	1/20	0.40

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
SCHEMBL29425878	0.92	HSP90AA1 (0.80)	HSP90AA1XDHCYP3A4KDM4EGLA
Specioside SCHEMBL29426185	0.92	HSP90AA1 (1.00)	HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29546041	0.91	HSP90AA1 (0.76)	HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29426089	0.90	HSP90AA1 (0.73)	HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29426068	0.88	HSP90AA1 (0.70)	HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL19004036	0.87	HSP90AA1 (0.70)	HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29733539	0.87	HSP90AA1 (0.70)	HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL29642977	0.87	HSP90AA1 (0.71)	HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL420022	0.87	HSP90AA1 (0.73)	HSP90AA1XDHCYP3A4KDM4EGLA
SCHEMBL419313	0.87	HSP90AA1 (0.71)	HSP90AA1XDHCYP3A4KDM4EGLA

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