SCHEMBL12532633

CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]4[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]5[C@H](O)[C@@H](NS(=O)(=O)O)C(O)O[C@@H]5COS(=O)(=O)O)O[C@H]4C(=O)O)O[C@@H]3COS(=O)(=O)O)O[C@@H]2C(=O)O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2OC(C(=O)O)=C[C@H](O)[C@H]2O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	F10	P00742	3/20	0.64

▸	BDNF	P23560	3/20	0.47

▸	MDK	P21741	3/20	0.47

▸	PTN	P21246	2/20	0.47

▸	BMP2	P12643	2/20	0.42

▸	VEGFA	P15692	2/20	0.42

▸	CXCL12	P48061	2/20	0.42

▸	SHH	Q15465	2/20	0.42

▸	IFNG	P01579	1/20	0.42

▸	PF4	P02776	1/20	0.42

▸	CCL2	P13500	1/20	0.42

▸	SELP	P16109	1/20	0.42

▸	BMP6	P22004	1/20	0.42

▸	CCL11	P51671	1/20	0.42

▸	WNT3A	P56704	1/20	0.42

▸	SELPLG	Q14242	1/20	0.42

▸	SERPINC1	P01008	2/20	0.42

▸	F2	P00734	1/20	0.42

▸	F9	P00740	3/20	0.41

▸	F8	P00451	2/20	0.41

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
SCHEMBL12300300	0.98	F10 (0.63)	F10BDNFMDKPTNBMP2
SCHEMBL15395278	0.96	F10 (0.59)	F10BDNFMDKPTNBMP2
SCHEMBL17771210	0.94	F10 (0.73)	F10BDNFMDKPTNBMP2
SCHEMBL15452279	0.94	F10 (0.73)	F10BDNFMDKPTNBMP2
SCHEMBL15452259	0.94	F10 (0.73)	F10BDNFMDKPTNBMP2
SCHEMBL17771213	0.94	F10 (0.73)	F10BDNFMDKPTNBMP2
SCHEMBL15452227	0.94	F10 (0.73)	F10BDNFMDKPTNBMP2
SCHEMBL15449547	0.94	F10 (0.71)	F10BDNFMDKPTNBMP2
SCHEMBL15452230	0.94	F10 (0.73)	F10BDNFMDKPTNBMP2
SCHEMBL15452229	0.94	F10 (0.71)	F10BDNFMDKPTNBMP2

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-7956046-B2	Cardiovascular disorders eg venous thrombosis, arterial thrombosis, deep vein thrombosis, pulmonary embolism, unstable angina, myocardial infarction, cardiac ischemia, occlusive diseases of the peripheral arteries and atrial fibrillation, smooth muscle cell proliferation, atherosclerosis, arteriosclerosi	AVENTIS PHARMA S.A. (FR)	2011-06-07	—	—	US	disclosed