SCHEMBL2311952

CCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCc3ccccc3)[C@@H]2OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(=O)NCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	14/20	0.49

▸	SELP	P16109	4/20	0.41

▸	SIRT2	Q8IXJ6	2/20	0.37

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
SCHEMBL2311946	1.00	TLR4 (0.49)	TLR4SELPSIRT2
SCHEMBL2310190	0.97	TLR4 (0.49)	TLR4SELPSIRT2
SCHEMBL2310195	0.97	TLR4 (0.49)	TLR4SELPSIRT2
SCHEMBL2308769	0.92	TLR4 (0.51)	TLR4SELP
SCHEMBL18789819	0.92	TLR4 (0.56)	TLR4SELP
SCHEMBL2313810	0.90	TLR4 (0.52)	TLR4SELP
SCHEMBL2306676	0.89	TLR4 (0.56)	TLR4SELP
SCHEMBL2316002	0.89	TLR4 (0.56)	TLR4SELP
SCHEMBL2306681	0.89	TLR4 (0.56)	TLR4SELP
SCHEMBL2315995	0.89	TLR4 (0.56)	TLR4SELP

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-1232168-B1	SYNTHETIC LIPID-A ANALOGS AND USES THEREOF	ONCOTHYREON INC (US)	2011-08-03	—	—	EP	disclosed