SCHEMBL10354147

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1C(O)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	12/20	0.40

▸	SELP	P16109	1/20	0.33

▸	TLR2	O60603	2/20	0.32

▸	DAGLA	Q9Y4D2	1/20	0.32

▸	PTPN1	P18031	1/20	0.32

▸	BCHE	P06276	1/20	0.32

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
SCHEMBL10747306	0.94	TLR4 (0.33)	TLR4SELPDAGLA
SCHEMBL8579544	0.89	TLR4 (0.35)	TLR4SELPDAGLA
SCHEMBL10772297	0.87	TLR4 (0.38)	TLR4SELPDAGLA
SCHEMBL10610554	0.86	TLR4 (0.42)	TLR4SELP
SCHEMBL10610859	0.86	TLR4 (0.42)	TLR4SELP
SCHEMBL10741851	0.85	TLR4 (0.33)	TLR4SELPTLR2DAGLA
SCHEMBL6800462	0.83	TLR4 (0.46)	TLR4SELPBCHE
SCHEMBL6800467	0.83	TLR4 (0.46)	TLR4SELPBCHE
SCHEMBL9019191	0.83	TLR4 (0.43)	TLR4SELP
SCHEMBL9019090	0.83	TLR4 (0.43)	TLR4SELP

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
EP-0180608-B1	2,3-DIAMINO-2,3-DIDESOXYHEXOSE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE	SANDOZ AG (CH)	1990-07-25	—	—	EP	disclosed
US-4698331-A	2,3-diamino-2,3-didesoxyhexose derivatives and their use	SANDOZ LTD. (CH)	1987-10-06	—	—	US	disclosed