SCHEMBL8578445

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

nearest known ligand 0.38

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	13/20	0.38

▸	LY96	Q9Y6Y9	6/20	0.34

▸	KMT2A	Q03164	2/20	0.33

▸	MEN1	O00255	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	HPGD	P15428	1/20	0.33

▸	TNF	P01375	2/20	0.33

▸	LMNA	P02545	1/20	0.32

▸	SIRT2	Q8IXJ6	1/20	0.31

▸	SIRT1	Q96EB6	1/20	0.31

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
SCHEMBL8579706	0.91	TLR4 (0.38)	TLR4LY96TNF
SCHEMBL8579370	0.90	TLR4 (0.37)	TLR4LY96KMT2ALMNA
SCHEMBL8579744	0.88	TLR4 (0.46)	TLR4LY96
SCHEMBL8579645	0.88	TLR4 (0.46)	TLR4LY96
SCHEMBL9019057	0.84	TLR4 (0.53)	TLR4LY96
SCHEMBL9019055	0.84	TLR4 (0.53)	TLR4LY96
SCHEMBL9019160	0.82	TLR4 (0.44)	TLR4LY96TNF
SCHEMBL8581559	0.82	TLR4 (0.44)	TLR4LY96TNF
SCHEMBL8581934	0.81	TLR4 (0.37)	TLR4LY96
SCHEMBL8581099	0.79	TLR4 (0.37)	TLR4KMT2AMEN1ALDH1A1HPGD

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