SCHEMBL4732411

COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)CCCCC(=O)CCCOCCOCCOCCO[C@H]2[C@H](OC)[C@@H](OC)[C@@H](O[C@H]3[C@H](OC)[C@@H](OC)[C@H](O[C@H]4[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]5[C@H](OC)[C@@H](OC)[C@H](O[C@H]6[C@H](OC)[C@@H](OS(=O)(=O)O)[C@@H](OC)O[C@@H]6COS(=O)(=O)O)O[C@H]5C(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)C(=O)C[C@H](Cc2ccc(C(C)=N)cc2)C(=O)N2CCCCC2)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.46

▸	SERPINC1	P01008	1/20	0.37

▸	AVPR1B	P47901	4/20	0.35

▸	AVPR1A	P37288	2/20	0.32

▸	PLG	P00747	1/20	0.32

▸	FGF2	P09038	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
SCHEMBL12458583	0.96	F2 (0.47)	F2SERPINC1FGF2
SCHEMBL12799295	0.96	F2 (0.47)	F2SERPINC1FGF2
SCHEMBL4732589	0.88	F2 (0.42)	F2
SCHEMBL12458591	0.84	F2 (0.42)	F2
SCHEMBL12458604	0.84	F2 (0.42)	F2
SCHEMBL13551195	0.81	F2 (0.57)	F2SERPINC1AVPR1BAVPR1APLG
SCHEMBL12799348	0.81	F2 (0.45)	F2PLG
SCHEMBL12799315	0.81	F2 (0.45)	F2PLG
SCHEMBL12799304	0.81	F2 (0.40)	F2
SCHEMBL12458597	0.79	F2 (0.43)	F2PLG

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