SCHEMBL9126379

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)O[C@H](COC(=O)C[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)OCc2ccccc2)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	10/20	0.42

▸	SELP	P16109	3/20	0.39

▸	LY96	Q9Y6Y9	6/20	0.39

▸	LGALS8	O00214	1/20	0.39

▸	SSTR3	P32745	5/20	0.38

▸	SSTR5	P35346	5/20	0.38

▸	SSTR2	P30874	3/20	0.38

▸	SSTR1	P30872	1/20	0.38

▸	SSTR4	P31391	1/20	0.38

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
SCHEMBL9124536	0.98	TLR4 (0.42)	TLR4SELPLY96LGALS8SSTR3
SCHEMBL9127454	0.98	TLR4 (0.42)	TLR4SELPLY96LGALS8SSTR3
SCHEMBL9125250	0.93	TLR4 (0.41)	TLR4SELPLY96LGALS8SSTR3
SCHEMBL9127067	0.93	TLR4 (0.41)	TLR4SELPLY96LGALS8SSTR3
SCHEMBL9126017	0.93	TLR4 (0.41)	TLR4SELPLY96LGALS8SSTR3
SCHEMBL9127055	0.91	KLK7 (0.45)	TLR4LY96LGALS8
SCHEMBL9126191	0.91	KLK7 (0.45)	TLR4LY96LGALS8
SCHEMBL9124729	0.91	TLR4 (0.39)	TLR4SELPLY96SSTR3SSTR5
SCHEMBL9123773	0.90	TLR4 (0.42)	TLR4LY96LGALS8SSTR3SSTR5
SCHEMBL9125716	0.89	MCHR1 (0.39)	TLR4SELPSSTR3SSTR5SSTR2

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