SCHEMBL2313871

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

nearest known ligand 0.41

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	11/20	0.41

▸	TLR2	O60603	2/20	0.35

▸	SELP	P16109	1/20	0.34

▸	NT5E	P21589	1/20	0.34

▸	TNF	P01375	1/20	0.32

▸	LMNA	P02545	1/20	0.32

▸	KMT2A	Q03164	1/20	0.32

▸	TACR2	P21452	1/20	0.31

▸	SSTR1	P30872	1/20	0.31

▸	SSTR2	P30874	1/20	0.31

▸	SSTR4	P31391	1/20	0.31

▸	SSTR3	P32745	1/20	0.31

▸	SSTR5	P35346	1/20	0.31

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
SCHEMBL2313867	0.94	TLR4 (0.39)	TLR4TLR2SELP
SCHEMBL2311290	0.94	TLR4 (0.45)	TLR4TLR2SELP
SCHEMBL2314217	0.92	TLR4 (0.42)	TLR4SELPNT5E
SCHEMBL2310785	0.87	TLR4 (0.45)	TLR4SELP
SCHEMBL2314211	0.87	TLR4 (0.44)	TLR4SELP
SCHEMBL7144658	0.86	TLR2 (0.36)	TLR4TLR2TNFLMNAKMT2A
SCHEMBL2310112	0.83	TLR4 (0.43)	TLR4TLR2LMNAKMT2A
SCHEMBL2795489	0.83	TLR4 (0.38)	TLR4SELPNT5E
SCHEMBL2313099	0.83	TLR4 (0.44)	TLR4TLR2SELP
SCHEMBL2795490	0.83	TLR4 (0.38)	TLR4SELPNT5E

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