SCHEMBL9127723

CCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)OC[C@H]1O[C@H](OC(CC(=O)O)CC(=O)O)[C@H](NC(=O)CCCCCCCNC(=O)c2ccccc2)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 12)

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

▸	LY96	Q9Y6Y9	6/20	0.38

▸	ESR1	P03372	1/20	0.37

▸	PGR	P06401	1/20	0.37

▸	HTR1A	P08908	1/20	0.37

▸	ADORA3	P0DMS8	1/20	0.37

▸	AR	P10275	1/20	0.37

▸	CHRM1	P11229	1/20	0.37

▸	TBXA2R	P21731	1/20	0.37

▸	PTGS1	P23219	1/20	0.37

▸	ADRA1A	P35348	1/20	0.37

▸	KCNH2	Q12809	1/20	0.37

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
SCHEMBL9126337	1.00	TLR4 (0.42)	TLR4LY96ESR1PGRHTR1A
SCHEMBL9126725	1.00	TLR4 (0.42)	TLR4LY96ESR1PGRHTR1A
SCHEMBL9127473	1.00	TLR4 (0.42)	TLR4LY96ESR1PGRHTR1A
SCHEMBL9126739	0.91	MEN1 (0.42)	TLR4LY96
SCHEMBL9125725	0.91	MEN1 (0.42)	TLR4LY96
SCHEMBL9125656	0.91	MEN1 (0.42)	TLR4LY96
SCHEMBL9126181	0.91	MEN1 (0.42)	TLR4LY96
SCHEMBL9129908	0.90	TLR4 (0.50)	TLR4LY96
SCHEMBL9126740	0.90	TLR4 (0.50)	TLR4LY96
SCHEMBL9128952	0.90	TLR4 (0.50)	TLR4LY96

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