SCHEMBL8579370

C=CCO[C@@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](OP(=O)(c2ccccc2)c2ccccc2)[C@H](OC(=O)CCCCCCCCCCCCC)[C@H]1NC(=O)[C@H](F)[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	15/20	0.37

▸	LY96	Q9Y6Y9	6/20	0.35

▸	LMNA	P02545	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	POLB	P06746	1/20	0.32

▸	SELP	P16109	2/20	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
SCHEMBL8581934	0.92	TLR4 (0.37)	TLR4LY96SELP
SCHEMBL8581099	0.90	TLR4 (0.37)	TLR4LMNAKMT2ASELP
SCHEMBL8578445	0.90	TLR4 (0.38)	TLR4LY96LMNAKMT2A
SCHEMBL9852675	0.85	TLR4 (0.51)	TLR4LY96SELP
SCHEMBL9019079	0.85	TLR4 (0.51)	TLR4LY96SELP
SCHEMBL8583223	0.83	TLR4 (0.42)	TLR4LY96LMNAKMT2A
SCHEMBL8579706	0.81	TLR4 (0.38)	TLR4LY96SELP
SCHEMBL9852729	0.79	TLR4 (0.34)	TLR4SELP
SCHEMBL8579744	0.79	TLR4 (0.46)	TLR4LY96
SCHEMBL8579645	0.79	TLR4 (0.46)	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 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