SCHEMBL9125929

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(CC(=O)O)CC(=O)O)O[C@H](COC(=O)[C@@H](CCC(=O)O)NC(=O)Cc2ccc(NC(=O)CCCCCCC)cc2)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	14/20	0.42

▸	LY96	Q9Y6Y9	6/20	0.37

▸	SSTR1	P30872	1/20	0.34

▸	SSTR2	P30874	1/20	0.34

▸	SSTR4	P31391	1/20	0.34

▸	SSTR3	P32745	1/20	0.34

▸	SSTR5	P35346	1/20	0.34

▸	MCHR1	Q99705	1/20	0.34

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
SCHEMBL9125924	1.00	TLR4 (0.42)	TLR4LY96SSTR1SSTR2SSTR4
SCHEMBL9568262	0.92	TLR4 (0.42)	TLR4LY96
SCHEMBL9126150	0.92	TLR4 (0.42)	TLR4LY96
SCHEMBL9129913	0.89	TLR4 (0.50)	TLR4LY96
SCHEMBL9126740	0.89	TLR4 (0.50)	TLR4LY96
SCHEMBL9128952	0.89	TLR4 (0.50)	TLR4LY96
SCHEMBL9128948	0.89	TLR4 (0.50)	TLR4LY96
SCHEMBL9129908	0.89	TLR4 (0.50)	TLR4LY96
SCHEMBL9127440	0.88	TLR4 (0.43)	TLR4LY96SSTR2SSTR3SSTR5
SCHEMBL9127443	0.88	TLR4 (0.43)	TLR4LY96SSTR2SSTR3SSTR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5432267-A	Inhibits tumor necrosis factor derivation by endotoxin	DAIICHI PHARMACEUTICAL CO., LTD. (JP)	1995-07-11	—	—	US	disclosed
EP-0563908-A1	Amino sugar derivatives	DAIICHI PHARMACEUTICAL CO., LTD. (JP)	1993-10-06	—	—	EP	disclosed