SCHEMBL6972442

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](CCCCNC(=O)C[C@@H](NC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@@H]76)C(=O)O)NC(=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 0.43

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.43

▸	MDK	P21741	4/20	0.38

▸	SETD7	Q8WTS6	1/20	0.36

▸	FOLH1	Q04609	7/20	0.35

▸	SORT1	Q99523	1/20	0.34

▸	KDM4E	B2RXH2	1/20	0.34

▸	EGLN1	Q9GZT9	1/20	0.34

▸	KDM2A	Q9Y2K7	1/20	0.34

▸	PLG	P00747	1/20	0.34

▸	PRSS1	P07477	1/20	0.34

▸	PRSS2	P07478	1/20	0.34

▸	PRSS3	P35030	1/20	0.34

▸	TPSAB1	Q15661	1/20	0.34

▸	GIGYF2	Q6Y7W6	1/20	0.34

▸	PKM	P14618	1/20	0.33

▸	CASP3	P42574	1/20	0.33

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
SCHEMBL13485726	0.93	F2 (0.43)	F2MDKSETD7FOLH1SORT1
SCHEMBL6973693	0.92	F2 (0.42)	F2MDKSETD7FOLH1SORT1
SCHEMBL13485725	0.88	F2 (0.45)	F2MDKSETD7FOLH1SORT1
SCHEMBL13485724	0.88	F2 (0.44)	F2MDKSETD7FOLH1SORT1
SCHEMBL13551197	0.82	MDK (0.49)	F2MDKFOLH1KDM4EEGLN1
SCHEMBL29589310	0.77	F2 (0.49)	F2MDKSETD7FOLH1KDM4E
SCHEMBL13873861	0.77	F2 (0.48)	F2
SCHEMBL13873873	0.75	F2 (0.48)	F2
SCHEMBL12458591	0.75	F2 (0.42)	F2MDKSETD7FOLH1GIGYF2
SCHEMBL12458604	0.75	F2 (0.42)	F2MDKSETD7FOLH1GIGYF2

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