SCHEMBL4732448

CNCCOCCOCCOCCOCC(=O)C[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)CCCOCCOCCOCCO[C@H]1[C@H](OC)[C@@H](OC)[C@@H](O[C@H]2[C@H](OC)[C@@H](OC)[C@H](O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]4[C@H](OC)[C@@H](OC)[C@H](O[C@H]5[C@H](OC)[C@@H](OS(=O)(=O)O)[C@@H](OC)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]1COS(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	MDK	P21741	4/20	0.49

▸	SERPINC1	P01008	1/20	0.39

▸	FOLH1	Q04609	6/20	0.39

▸	PKM	P14618	2/20	0.38

▸	CAPN1	P07384	2/20	0.38

▸	PRSS1	P07477	2/20	0.37

▸	PRSS2	P07478	2/20	0.37

▸	PRSS3	P35030	2/20	0.37

▸	TPSAB1	Q15661	2/20	0.37

▸	F2	P00734	1/20	0.37

▸	TDP1	Q9NUW8	1/20	0.36

▸	FGF1	P05230	1/20	0.36

▸	FGF2	P09038	1/20	0.36

▸	VEGFA	P15692	1/20	0.36

▸	HPSE	Q9Y251	1/20	0.36

▸	HSP90AB1	P08238	1/20	0.36

▸	PLG	P00747	1/20	0.35

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
SCHEMBL12799305	0.96	MDK (0.49)	MDKSERPINC1FOLH1PKMCAPN1
SCHEMBL12799327	0.96	MDK (0.49)	MDKSERPINC1FOLH1PKMCAPN1
SCHEMBL12458589	0.93	MDK (0.51)	MDKSERPINC1FOLH1PKMCAPN1
SCHEMBL13551197	0.89	MDK (0.49)	MDKSERPINC1FOLH1PKMCAPN1
SCHEMBL29435448	0.81	MDK (0.53)	MDKSERPINC1CAPN1PRSS1PRSS2
SCHEMBL12458601	0.80	F2 (0.43)	MDKF2
SCHEMBL6973693	0.77	F2 (0.42)	MDKSERPINC1FOLH1PKMPRSS1
SCHEMBL12458591	0.76	F2 (0.42)	MDKFOLH1CAPN1F2
SCHEMBL12458604	0.76	F2 (0.42)	MDKFOLH1CAPN1F2
SCHEMBL12799315	0.76	F2 (0.45)	MDKFOLH1PRSS1PRSS2PRSS3

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-8168595-B2	Antithrombotic dual inhibitors comprising a biotin residue	Msd Oss B.V (NL)	2012-05-01	—	—	US	disclosed