SCHEMBL9626503

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(=O)OC(Cl)(Cl)CCl

nearest known ligand 0.53

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	15/20	0.53

▸	ESR1	P03372	1/20	0.36

▸	PGR	P06401	1/20	0.36

▸	LY96	Q9Y6Y9	3/20	0.35

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
SCHEMBL9626507	0.88	TLR4 (0.54)	TLR4ESR1PGRLY96
SCHEMBL9626514	0.88	TLR4 (0.54)	TLR4ESR1PGRLY96
SCHEMBL9786249	0.88	TLR4 (0.50)	TLR4LY96
SCHEMBL6797804	0.83	TLR4 (0.64)	TLR4LY96
SCHEMBL3932370	0.77	TLR4 (0.55)	TLR4
SCHEMBL3932630	0.77	TLR4 (0.55)	TLR4
SCHEMBL3932633	0.77	TLR4 (0.55)	TLR4
SCHEMBL3938258	0.77	TLR4 (0.55)	TLR4
SCHEMBL3929774	0.77	TLR4 (0.55)	TLR4
SCHEMBL3933778	0.77	TLR4 (0.55)	TLR4

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-0172581-B1	DISACCHARIDE DERIVATIVES	DAIICHI SEIYAKU CO., LTD. (JP)	1992-05-06	—	—	EP	disclosed