SCHEMBL6973693

CO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](OCCOCCOCCOCCNC(=O)[C@H](CCCCCC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@@H]76)CC(=O)COCCOCCOCCOCCCC(=O)c6cccc(S(=O)(=O)N[C@@H](Cc7ccc(OCCCCC8CCCCC8)cc7)C(=O)O)c6)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.42

▸	MDK	P21741	4/20	0.37

▸	SETD7	Q8WTS6	1/20	0.34

▸	SORT1	Q99523	1/20	0.33

▸	FOLH1	Q04609	5/20	0.32

▸	GIGYF2	Q6Y7W6	1/20	0.32

▸	PSEN1	P49768	2/20	0.31

▸	PSEN2	P49810	2/20	0.31

▸	APH1B	Q8WW43	2/20	0.31

▸	NCSTN	Q92542	2/20	0.31

▸	APH1A	Q96BI3	2/20	0.31

▸	PSENEN	Q9NZ42	2/20	0.31

▸	PLG	P00747	1/20	0.31

▸	PRSS1	P07477	1/20	0.31

▸	PRSS2	P07478	1/20	0.31

▸	PRSS3	P35030	1/20	0.31

▸	TPSAB1	Q15661	1/20	0.31

▸	SERPINC1	P01008	1/20	0.30

▸	ITGB3	P05106	1/20	0.30

▸	ITGA2B	P08514	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
SCHEMBL6972442	0.92	F2 (0.43)	F2MDKSETD7SORT1FOLH1
SCHEMBL13485724	0.89	F2 (0.44)	F2MDKSETD7SORT1FOLH1
SCHEMBL13485725	0.87	F2 (0.45)	F2MDKSETD7SORT1FOLH1
SCHEMBL13485726	0.85	F2 (0.43)	F2MDKSETD7SORT1FOLH1
SCHEMBL4732448	0.77	MDK (0.49)	F2MDKFOLH1PLGPRSS1
SCHEMBL12799305	0.77	MDK (0.49)	F2MDKFOLH1PRSS1PRSS2
SCHEMBL12799327	0.77	MDK (0.49)	F2MDKFOLH1PRSS1PRSS2
SCHEMBL13873861	0.77	F2 (0.48)	F2SERPINC1ITGB3ITGA2B
SCHEMBL13873873	0.75	F2 (0.48)	F2SERPINC1ITGB3ITGA2B
SCHEMBL13551197	0.74	MDK (0.49)	F2MDKFOLH1PLGPRSS1

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-8183228-B2	Anticoagulant antithrombotic dual inhibitors comprising a biotin label	MSD OSS B.V. Netherlands (US)	2012-05-22	—	—	US	disclosed