SCHEMBL29607746

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)OCCCCCCCCCC)[C@H]1N)C(=O)OCc1ccccc1)OCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	9/20	0.46

▸	LGALS8	O00214	1/20	0.41

▸	TLR2	O60603	6/20	0.40

▸	SELP	P16109	1/20	0.36

▸	BCHE	P06276	1/20	0.36

▸	ACHE	P22303	1/20	0.36

▸	MEN1	O00255	1/20	0.34

▸	ALDH1A1	P00352	1/20	0.34

▸	HPGD	P15428	1/20	0.34

▸	KMT2A	Q03164	1/20	0.34

▸	SIRT2	Q8IXJ6	1/20	0.34

▸	SIRT1	Q96EB6	1/20	0.34

▸	SIRT3	Q9NTG7	1/20	0.34

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
SCHEMBL29607882	0.91	TLR4 (0.47)	TLR4LGALS8TLR2SELPSIRT2
SCHEMBL29607653	0.91	TLR4 (0.52)	TLR4LGALS8TLR2SELPBCHE
SCHEMBL29608129	0.86	TLR4 (0.45)	TLR4LGALS8TLR2SELPBCHE
SCHEMBL29608123	0.83	TLR4 (0.43)	TLR4LGALS8TLR2SELPMEN1
SCHEMBL29608248	0.82	TLR4 (0.53)	TLR4LGALS8SELP
SCHEMBL29606973	0.78	TLR4 (0.45)	TLR4LGALS8SELPBCHEACHE
SCHEMBL29607028	0.77	TLR4 (0.52)	TLR4TLR2BCHEACHE
SCHEMBL9624581	0.75	TLR4 (0.51)	TLR4LGALS8SELP
SCHEMBL9624577	0.75	TLR4 (0.51)	TLR4LGALS8SELP
SCHEMBL29607110	0.75	TLR4 (0.60)	TLR4

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