SCHEMBL2313867

C=CCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCCCC)[C@H]1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	13/20	0.39

▸	TLR2	O60603	2/20	0.35

▸	MCHR1	Q99705	2/20	0.33

▸	SELP	P16109	1/20	0.33

▸	LGALS8	O00214	1/20	0.32

▸	TACR1	P25103	1/20	0.32

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
SCHEMBL2313871	0.94	TLR4 (0.41)	TLR4TLR2SELP
SCHEMBL2314211	0.92	TLR4 (0.44)	TLR4MCHR1SELP
SCHEMBL2311290	0.91	TLR4 (0.45)	TLR4TLR2SELP
SCHEMBL2314217	0.87	TLR4 (0.42)	TLR4SELP
SCHEMBL7144653	0.86	TLR4 (0.36)	TLR4TLR2MCHR1SELP
SCHEMBL2313099	0.86	TLR4 (0.44)	TLR4TLR2MCHR1SELP
SCHEMBL2310785	0.84	TLR4 (0.45)	TLR4SELP
SCHEMBL2306934	0.83	LGALS8 (0.42)	TLR4SELPLGALS8
SCHEMBL2306939	0.83	LGALS8 (0.42)	TLR4SELPLGALS8
SCHEMBL7144658	0.82	TLR2 (0.36)	TLR4TLR2

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