SCHEMBL8399868

COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]2O)[C@H]1NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	LGALS3	P17931	2/20	0.49

▸	LGALS8	O00214	1/20	0.49

▸	LGALS4	P56470	1/20	0.49

▸	SELE	P16581	5/20	0.49

▸	MAPK1	P28482	1/20	0.45

▸	BDNF	P23560	3/20	0.44

▸	PTN	P21246	2/20	0.44

▸	MDK	P21741	2/20	0.44

▸	SELL	P14151	3/20	0.41

▸	SELP	P16109	2/20	0.41

▸	TLR4	O00206	1/20	0.38

▸	BMP2	P12643	1/20	0.36

▸	VEGFA	P15692	1/20	0.36

▸	CXCL12	P48061	1/20	0.36

▸	SHH	Q15465	1/20	0.36

▸	SIGLEC7	Q9Y286	2/20	0.36

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
SCHEMBL8398092	0.98	LGALS8 (0.51)	LGALS3LGALS8LGALS4SELEMAPK1
SCHEMBL9057973	0.95	LGALS8 (0.54)	LGALS3LGALS8LGALS4SELEMAPK1
SCHEMBL8401553	0.94	SELE (0.50)	LGALS3LGALS8LGALS4SELEMAPK1
SCHEMBL8401789	0.94	LGALS8 (0.53)	LGALS3LGALS8LGALS4SELEMAPK1
SCHEMBL8401253	0.93	LGALS8 (0.52)	LGALS3LGALS8LGALS4SELEMAPK1
SCHEMBL8398183	0.92	SELE (0.52)	LGALS3LGALS8LGALS4SELEMAPK1
SCHEMBL8831331	0.91	LGALS3 (0.55)	LGALS3LGALS8LGALS4SELEMAPK1
SCHEMBL8831319	0.91	LGALS3 (0.55)	LGALS3LGALS8LGALS4SELEMAPK1
SCHEMBL8399860	0.91	LGALS8 (0.53)	LGALS3LGALS8LGALS4SELEMAPK1
SCHEMBL8398199	0.90	SELE (0.50)	LGALS3LGALS8LGALS4SELEMAPK1

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-5874411-A	ANTIINFLAMMATORY	GLYCOMED INCORPORATED (US)	1999-02-23	—	—	US	disclosed