SCHEMBL31239200

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@@H]1C=C[C@@]21C=C([C@H](C)OC(=O)/C=C/c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	POLB	P06746	1/20	0.52

▸	CTDSP1	Q9GZU7	1/20	0.52

▸	ELANE	P08246	1/20	0.51

▸	KDM4E	B2RXH2	1/20	0.41

▸	GLA	P06280	1/20	0.41

▸	CYP3A4	P08684	1/20	0.41

▸	HSP90AA1	P07900	2/20	0.40

▸	MEN1	O00255	1/20	0.40

▸	MAPT	P10636	1/20	0.40

▸	KMT2A	Q03164	1/20	0.40

▸	ALDH1A1	P00352	1/20	0.40

▸	TSHR	P16473	1/20	0.40

▸	STAT3	P40763	6/20	0.39

▸	AKR1B1	P15121	1/20	0.39

▸	DPP4	P27487	1/20	0.39

▸	SNCA	P37840	1/20	0.38

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
SCHEMBL31045481	1.00	POLB (0.52)	POLBCTDSP1ELANEKDM4EGLA
Plumieride SCHEMBL419720	0.83	POLB (0.65)	POLBCTDSP1ELANEMEN1MAPT
Gaertneroside SCHEMBL420081	0.78	POLB (0.60)	POLBCTDSP1ELANEHSP90AA1MEN1
Gaertneroside SCHEMBL31179982	0.78	POLB (0.60)	POLBCTDSP1ELANEHSP90AA1MEN1
SCHEMBL29425686	0.78	POLB (0.68)	POLBCTDSP1ELANEMEN1MAPT
Methoxygaertneroside SCHEMBL29425775	0.74	POLB (0.56)	POLBCTDSP1ELANEKDM4EMEN1
Methoxygaertneroside SCHEMBL29425771	0.74	POLB (0.56)	POLBCTDSP1ELANEKDM4EMEN1
Dehydrogaertneroside SCHEMBL29425897	0.74	POLB (0.62)	POLBCTDSP1HSP90AA1MEN1MAPT
SCHEMBL29425753	0.71	ELANE (0.58)	POLBCTDSP1ELANEKDM4EGLA
SCHEMBL29425883	0.71	ELANE (0.58)	POLBCTDSP1ELANEKDM4EGLA

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
CN-119039369-A	Preparation method of control of plumeria rubra glycoside	上海诗丹德标准技术服务有限公司	2024-11-29	—	—	CN	disclosed