SCHEMBL8579706

CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](OP(=O)(c2ccccc2)c2ccccc2)[C@@H](COCOCc2ccccc2)OC(O)[C@@H]1NC(=O)[C@@H](F)[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	14/20	0.38

▸	LY96	Q9Y6Y9	6/20	0.34

▸	SELP	P16109	1/20	0.33

▸	PTPN1	P18031	1/20	0.33

▸	TNF	P01375	1/20	0.30

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
SCHEMBL8578445	0.91	TLR4 (0.38)	TLR4LY96TNF
SCHEMBL8581934	0.90	TLR4 (0.37)	TLR4LY96SELP
SCHEMBL8579645	0.88	TLR4 (0.46)	TLR4LY96
SCHEMBL8579744	0.88	TLR4 (0.46)	TLR4LY96
SCHEMBL8579370	0.81	TLR4 (0.37)	TLR4LY96SELP
SCHEMBL9019042	0.75	TLR4 (0.54)	TLR4LY96
SCHEMBL9019056	0.75	TLR4 (0.54)	TLR4LY96
SCHEMBL9019057	0.75	TLR4 (0.53)	TLR4LY96
SCHEMBL9019055	0.75	TLR4 (0.53)	TLR4LY96
SCHEMBL9019160	0.74	TLR4 (0.44)	TLR4LY96TNF

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
US-5792840-A	SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES	SANKYO COMPANY, LIMITED (JP)	1998-08-11	—	—	US	disclosed