SCHEMBL422039

COc1cc(/C=C/C(=O)O[C@@H]2[C@@H](OC(C)=O)[C@H](C)O[C@@H](O[C@H]3[C@@H]4C=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]4(CO)O[C@@H]34)[C@@H]2OC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	HSP90AA1	P07900	6/20	0.71

▸	XDH	P47989	1/20	0.53

▸	PRKCA	P17252	3/20	0.50

▸	CYP3A4	P08684	2/20	0.43

▸	ALDH1A1	P00352	1/20	0.43

▸	ALOX15	P16050	1/20	0.43

▸	MAPK1	P28482	1/20	0.43

▸	HSD17B10	Q99714	1/20	0.43

▸	L3MBTL1	Q9Y468	2/20	0.43

▸	KDM1A	O60341	1/20	0.43

▸	BACE1	P56817	1/20	0.43

▸	PTPN1	P18031	1/20	0.43

▸	AMY2A	P04746	1/20	0.40

▸	SNCA	P37840	1/20	0.40

▸	LDHA	P00338	1/20	0.40

▸	KDM4E	B2RXH2	1/20	0.39

▸	GLA	P06280	1/20	0.39

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
SCHEMBL423457	0.94	HSP90AA1 (0.74)	HSP90AA1XDHPRKCACYP3A4ALDH1A1
SCHEMBL29426068	0.92	HSP90AA1 (0.70)	HSP90AA1XDHPRKCACYP3A4ALDH1A1
SCHEMBL29642990	0.91	HSP90AA1 (0.85)	HSP90AA1XDHPRKCACYP3A4ALDH1A1
SCHEMBL421930	0.90	HSP90AA1 (0.61)	HSP90AA1XDHPRKCACYP3A4ALDH1A1
SCHEMBL19004036	0.89	HSP90AA1 (0.70)	HSP90AA1XDHPRKCACYP3A4ALDH1A1
SCHEMBL29733539	0.89	HSP90AA1 (0.70)	HSP90AA1XDHPRKCACYP3A4ALDH1A1
SCHEMBL29642977	0.89	HSP90AA1 (0.71)	HSP90AA1XDHPRKCACYP3A4ALDH1A1
SCHEMBL29425878	0.87	HSP90AA1 (0.80)	HSP90AA1XDHPRKCACYP3A4ALDH1A1
SCHEMBL419313	0.86	HSP90AA1 (0.71)	HSP90AA1XDHPRKCACYP3A4ALDH1A1
Minecoside SCHEMBL29426074	0.86	HSP90AA1 (0.85)	HSP90AA1XDHPRKCACYP3A4ALDH1A1

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 14 patents. 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
EP-3409766-A1	AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS	N-Zyme BioTec GmbH (DE)	2018-12-05	—	—	EP	disclosed
US-20150086655-A1	Morinda Citrifolia Juice Formulations Comprising Iridoids	WEST BRETT JUSTIN (US)	2015-03-26	—	—	US	disclosed
US-8790727-B2	Morinda citrifolia and iridoid based formulations	TAHITIAN NONI INTERNATIONAL, INC. (US)	2014-07-29	—	—	US	disclosed
US-8679550-B2	Morinda citrifolia juice formulations comprising iridoids	TAHITIAN NONI INTERNATIONAL, INC. (US)	2014-03-25	—	—	US	disclosed
US-20120328720-A1	Iridoid Based Formulations	MORINDA, INC.	2012-12-27	—	—	US	disclosed
US-20120021079-A1	Garcinia Mangostana L. and Iridoid Based Formulations	TAHITIAN NONI INTERNATIONAL, INC.	2012-01-26	—	—	US	disclosed
US-20110217394-A1	Iridoid Based Formulations	WEST BRETT JUSTIN	2011-09-08	—	—	US	disclosed
WO-2011106432-A2	MORINDA CITRIFOLIA AND IRIDOID BASED FORMULATIONS	TAHITIAN NONI INTERNATIONAL, INC. (US)	2011-09-01	—	—	WO	disclosed
WO-2011106423-A2	ACAI AND IRIDOID BASED FORMULATIONS	TAHITIAN NONI INTERNATIONAL, INC. (US)	2011-09-01	—	—	WO	disclosed
WO-2011106417-A2	GARCINIA MANGOSTANA L. AND IRIDOID BASED FORMULATIONS	TAHITIAN NONI INTERNATIONAL, INC. (US)	2011-09-01	—	—	WO	disclosed
WO-2011106448-A2	IRIDOID BASED FORMULATIONS	TAHITIAN NONI INTERNATIONAL, INC. (US)	2011-09-01	—	—	WO	disclosed
US-20110206786-A1	Acai and Iridoid Based Formulations	TAHITIAN NONI INTERNATIONAL, INC.	2011-08-25	—	—	US	disclosed
US-20110206787-A1	Morinda Citrifolia and Iridoid Based Formulations	MORINDA, INC.	2011-08-25	—	—	US	disclosed