SCHEMBL29607882

CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H]1N)C(=O)OCc1ccccc1)OC(=O)CCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	13/20	0.47

▸	LGALS8	O00214	1/20	0.40

▸	SELP	P16109	1/20	0.38

▸	SIRT2	Q8IXJ6	3/20	0.36

▸	SIRT1	Q96EB6	1/20	0.36

▸	SIRT3	Q9NTG7	1/20	0.36

▸	TLR2	O60603	1/20	0.35

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
SCHEMBL29608123	0.92	TLR4 (0.43)	TLR4LGALS8SELPTLR2
SCHEMBL29608248	0.91	TLR4 (0.53)	TLR4LGALS8SELP
SCHEMBL29607746	0.91	TLR4 (0.46)	TLR4LGALS8SELPSIRT2SIRT1
SCHEMBL29606973	0.86	TLR4 (0.45)	TLR4LGALS8SELPSIRT2SIRT1
SCHEMBL29606615	0.83	TLR4 (0.48)	TLR4LGALS8SELP
SCHEMBL29607653	0.82	TLR4 (0.52)	TLR4LGALS8SELPTLR2
SCHEMBL29607110	0.82	TLR4 (0.60)	TLR4
SCHEMBL29608234	0.79	TLR4 (0.42)	TLR4LGALS8SELP
SCHEMBL3929242	0.79	SIRT2 (0.46)	SIRT2SIRT1SIRT3TLR2
SCHEMBL3936778	0.79	SIRT2 (0.46)	SIRT2SIRT1SIRT3TLR2

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
WO-2022102652-A1	NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE	第一三共株式会社	2022-05-19	—	—	WO	disclosed