SCHEMBL8579354

C=CCO[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1NC(=O)[C@H](F)[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.32

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TLR2	O60603	1/20	0.32

▸	TLR4	O00206	3/20	0.31

▸	TSHR	P16473	1/20	0.31

▸	MAPK1	P28482	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
SCHEMBL8578168	0.92	TLR4 (0.34)	TLR4
SCHEMBL8581372	0.92	TLR4 (0.34)	TLR4
SCHEMBL8576904	0.85	L3MBTL1 (0.33)	—
SCHEMBL8579743	0.85	L3MBTL1 (0.33)	—
SCHEMBL7889397	0.77	ALDH1A1 (0.36)	MAPK1
SCHEMBL7886992	0.77	ALDH1A1 (0.36)	MAPK1
SCHEMBL7567193	0.77	ALDH1A1 (0.36)	MAPK1
SCHEMBL8578333	0.76	TLR4 (0.44)	TLR4
SCHEMBL8580554	0.76	TLR4 (0.44)	TLR4
SCHEMBL7136442	0.75	ASGR1 (0.33)	—

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