SCHEMBL29425860

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

nearest known ligand 0.49

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	1/20	0.49

▸	TSHR	P16473	1/20	0.49

▸	POLB	P06746	1/20	0.48

▸	CTDSP1	Q9GZU7	1/20	0.48

▸	STAT3	P40763	15/20	0.47

▸	MEN1	O00255	1/20	0.47

▸	MAPT	P10636	1/20	0.47

▸	KMT2A	Q03164	1/20	0.47

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
SCHEMBL9695651	0.87	ALDH1A1 (0.52)	ALDH1A1TSHRPOLBCTDSP1STAT3
SCHEMBL30089774	0.85	ALDH1A1 (0.71)	ALDH1A1TSHRPOLBCTDSP1STAT3
SCHEMBL29426020	0.83	POLB (0.51)	ALDH1A1TSHRPOLBCTDSP1STAT3
SCHEMBL31179905	0.83	POLB (0.51)	ALDH1A1TSHRPOLBCTDSP1STAT3
Phloyoside I SCHEMBL29426051	0.82	POLB (0.55)	POLBCTDSP1STAT3MEN1MAPT
Phlomiol SCHEMBL9057941	0.82	POLB (0.55)	POLBCTDSP1STAT3MEN1MAPT
SCHEMBL20476536	0.81	POLB (0.52)	POLBCTDSP1STAT3MEN1MAPT
SCHEMBL29425887	0.79	ALDH1A1 (0.71)	ALDH1A1TSHRPOLBCTDSP1STAT3
SCHEMBL29208523	0.79	ALDH1A1 (0.71)	ALDH1A1TSHRPOLBCTDSP1STAT3
SCHEMBL29727271	0.79	ALDH1A1 (0.71)	ALDH1A1TSHRPOLBCTDSP1STAT3

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