SCHEMBL2313810

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](OCc3ccccc3)[C@@H]2OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(=O)NCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	18/20	0.52

▸	SELP	P16109	1/20	0.38

▸	TLR2	O60603	1/20	0.38

▸	LY96	Q9Y6Y9	1/20	0.36

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
SCHEMBL2308769	0.98	TLR4 (0.51)	TLR4SELPTLR2
SCHEMBL2314049	0.92	TLR4 (0.58)	TLR4SELPLY96
SCHEMBL2306482	0.92	TLR4 (0.58)	TLR4SELPLY96
SCHEMBL2310195	0.91	TLR4 (0.49)	TLR4SELP
SCHEMBL2310190	0.91	TLR4 (0.49)	TLR4SELP
SCHEMBL2309654	0.91	TLR4 (0.44)	TLR4SELPLY96
SCHEMBL18789816	0.90	TLR4 (0.57)	TLR4SELPLY96
SCHEMBL2311946	0.90	TLR4 (0.49)	TLR4SELP
SCHEMBL2311952	0.90	TLR4 (0.49)	TLR4SELP
SCHEMBL2307147	0.88	TLR4 (0.53)	TLR4SELPLY96

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 3 patents. 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
EP-1232168-A2	SYNTHETIC LIPID-A ANALOGS AND USES THEREOF	BIOMIRA, INC. (CA)	2002-08-21	—	—	EP	disclosed
WO-2001036433-A2	SYNTHETIC LIPID-A ANALOGS AND USES THEREOF	BIOMIRA, INC. (CA)	2001-05-25	—	—	WO	disclosed