SCHEMBL8581099

C=CCO[C@@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](O)[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 12)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	11/20	0.37

▸	SELP	P16109	3/20	0.35

▸	LGALS8	O00214	1/20	0.35

▸	KMT2A	Q03164	2/20	0.33

▸	MEN1	O00255	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	HPGD	P15428	1/20	0.33

▸	LMNA	P02545	1/20	0.33

▸	MCHR1	Q99705	2/20	0.32

▸	SSTR2	P30874	1/20	0.32

▸	SSTR3	P32745	1/20	0.32

▸	SSTR5	P35346	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
SCHEMBL8579370	0.90	TLR4 (0.37)	TLR4SELPKMT2ALMNA
SCHEMBL8578333	0.84	TLR4 (0.44)	TLR4
SCHEMBL8580554	0.84	TLR4 (0.44)	TLR4
SCHEMBL9019224	0.84	TLR4 (0.51)	TLR4SELP
SCHEMBL9019285	0.84	TLR4 (0.51)	TLR4SELP
SCHEMBL9019087	0.82	TLR4 (0.42)	TLR4SELPLGALS8
SCHEMBL8581934	0.82	TLR4 (0.37)	TLR4SELP
SCHEMBL8578445	0.79	TLR4 (0.38)	TLR4KMT2AMEN1ALDH1A1HPGD
SCHEMBL10960734	0.77	MCHR1 (0.48)	SELPMCHR1SSTR2SSTR3SSTR5
SCHEMBL9019104	0.77	TLR4 (0.44)	TLR4SELPLGALS8

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