SCHEMBL29426121

C=C1[C@H]2[C@H]([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	AKR1B1	P15121	1/20	0.40

▸	MAPT	P10636	1/20	0.40

▸	MEN1	O00255	2/20	0.39

▸	KMT2A	Q03164	2/20	0.39

▸	KDM4E	B2RXH2	1/20	0.39

▸	EPHX2	P34913	2/20	0.36

▸	CYP19A1	P11511	3/20	0.35

▸	STAT3	P40763	6/20	0.34

▸	PTPN1	P18031	1/20	0.33

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
SCHEMBL29426048	0.74	MAPT (0.63)	MAPTMEN1KMT2ASTAT3PTPN1
SCHEMBL29426070	0.73	AKR1B1 (0.45)	AKR1B1MAPTMEN1KMT2AKDM4E
SCHEMBL29426139	0.73	MAPT (0.36)	AKR1B1MAPTMEN1KMT2AKDM4E
SCHEMBL30289923	0.66	STAT3 (0.66)	MAPTMEN1KMT2ASTAT3
SCHEMBL30843341	0.65	MEN1 (0.53)	AKR1B1MEN1KMT2AKDM4EEPHX2
SCHEMBL30520203	0.65	MEN1 (0.53)	AKR1B1MEN1KMT2AKDM4EEPHX2
SCHEMBL26938903	0.64	AMY1A (0.46)	AKR1B1MEN1KMT2AKDM4EEPHX2
Saccharumoside D SCHEMBL15394723	0.62	AKR1B1 (0.65)	AKR1B1MEN1KMT2AKDM4EEPHX2
SCHEMBL15394642	0.62	AKR1B1 (0.60)	AKR1B1MEN1KMT2AKDM4EEPHX2
SCHEMBL10014355	0.62	AKR1B1 (0.47)	AKR1B1MEN1KMT2AKDM4EEPHX2

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