SCHEMBL2310195

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](O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(=O)NCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	15/20	0.49

▸	SELP	P16109	1/20	0.39

▸	SIRT2	Q8IXJ6	2/20	0.38

▸	SSTR4	P31391	1/20	0.37

▸	SSTR3	P32745	1/20	0.36

▸	SSTR5	P35346	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
SCHEMBL2310190	1.00	TLR4 (0.49)	TLR4SELPSIRT2SSTR4SSTR3
SCHEMBL2311946	0.97	TLR4 (0.49)	TLR4SELPSIRT2
SCHEMBL2311952	0.97	TLR4 (0.49)	TLR4SELPSIRT2
SCHEMBL2306681	0.92	TLR4 (0.56)	TLR4SELPSSTR4SSTR3SSTR5
SCHEMBL2315995	0.92	TLR4 (0.56)	TLR4SELPSSTR4SSTR3SSTR5
SCHEMBL2316002	0.92	TLR4 (0.56)	TLR4SELPSSTR4SSTR3SSTR5
SCHEMBL2306676	0.92	TLR4 (0.56)	TLR4SELPSSTR4SSTR3SSTR5
SCHEMBL2313810	0.91	TLR4 (0.52)	TLR4SELP
SCHEMBL2308769	0.89	TLR4 (0.51)	TLR4SELP
SCHEMBL2309529	0.89	SELP (0.43)	TLR4SELPSIRT2SSTR4SSTR3

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