SCHEMBL30768001

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

nearest known ligand 0.43

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	ENGASE	Q8NFI3	1/20	0.38

▸	CD209	Q9NNX6	2/20	0.37

▸	IGF2R	P11717	2/20	0.35

▸	TLR4	O00206	1/20	0.34

▸	LGALS8	O00214	4/20	0.34

▸	LGALS3	P17931	3/20	0.34

▸	LGALS4	P56470	2/20	0.34

▸	FGF1	P05230	2/20	0.34

▸	PRKCA	P17252	1/20	0.33

▸	LGALS9	O00182	1/20	0.33

▸	LGALS1	P09382	1/20	0.33

▸	LGALS7; LGALS7B	P47929	1/20	0.33

▸	AMY1A	P0DUB6	1/20	0.32

▸	MEN1	O00255	1/20	0.32

▸	LRAT	O95237	1/20	0.32

▸	TRPV1	Q8NER1	1/20	0.32

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
SCHEMBL19499656	0.82	LGALS8 (0.47)	CD209IGF2RLGALS8LGALS3FGF1
SCHEMBL29375702	0.82	LGALS8 (0.47)	CD209IGF2RLGALS8LGALS3FGF1
SCHEMBL19499653	0.82	AMY1A (0.39)	IGF2RLGALS8LGALS3LGALS4FGF1
SCHEMBL29376308	0.82	AMY1A (0.39)	IGF2RLGALS8LGALS3LGALS4FGF1
SCHEMBL29378663	0.79	LGALS8 (0.51)	LGALS8LGALS3LGALS4LGALS9LGALS1
SCHEMBL19499655	0.79	LGALS8 (0.51)	LGALS8LGALS3LGALS4LGALS9LGALS1
SCHEMBL24495028	0.78	LGALS8 (0.48)	IGF2RLGALS8LGALS3LGALS4FGF1
SCHEMBL29379207	0.78	LGALS8 (0.45)	ENGASEIGF2RLGALS8LGALS3LGALS4
SCHEMBL24495271	0.76	LGALS8 (0.48)	LGALS8LGALS3LGALS4LGALS9LGALS1
SCHEMBL4628664	0.74	CYP2D6 (0.57)	PRKCA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-117562911-B	Use of compound tigloside in preparation of medicines for treating and/or preventing osteoarthritis	海南医学院	2024-06-04	—	—	CN	disclosed
CN-117562911-A	Use of compound tigloside in preparation of medicines for treating and/or preventing osteoarthritis	海南医学院	2024-02-20	—	—	CN	disclosed