SCHEMBL9124251

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](NC(=O)CCCCCCCNC(=O)c2ccccc2)[C@@H](OC(CC(=O)O)CC(=O)O)O[C@H](COC(=O)CCC(NC(=O)CN(CCCCCCCCCCCC)C(=O)CCCCCCCCCCC)C(=O)O)[C@H]1OC(CC(=O)O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	15/20	0.38

▸	CDC25A	P30304	1/20	0.36

▸	LY96	Q9Y6Y9	6/20	0.35

▸	SIRT2	Q8IXJ6	1/20	0.34

▸	MEN1	O00255	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	HPGD	P15428	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

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
SCHEMBL9127725	0.93	TLR4 (0.42)	TLR4CDC25ALY96MEN1ALDH1A1
SCHEMBL9123760	0.91	MEN1 (0.38)	TLR4LY96SIRT2MEN1ALDH1A1
SCHEMBL9125663	0.83	MEN1 (0.42)	TLR4LY96SIRT2MEN1ALDH1A1
SCHEMBL9127473	0.81	TLR4 (0.42)	TLR4LY96
SCHEMBL9126337	0.81	TLR4 (0.42)	TLR4LY96
SCHEMBL9126725	0.81	TLR4 (0.42)	TLR4LY96
SCHEMBL9127723	0.81	TLR4 (0.42)	TLR4LY96
SCHEMBL9128735	0.79	TLR2 (0.42)	TLR4LY96SIRT2MEN1ALDH1A1
SCHEMBL9125656	0.78	MEN1 (0.42)	TLR4LY96SIRT2MEN1ALDH1A1
SCHEMBL9126181	0.78	MEN1 (0.42)	TLR4LY96SIRT2MEN1ALDH1A1

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