SCHEMBL14959577

C=C(C)c1ccc(C[C@@H](NC(=O)[C@H](CC(=O)NCCCC(=O)NCCOCCOCCOCCO[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)OC)O[C@@H]4COS(=O)(=O)O)O[C@@H]3C(=O)OC)O[C@@H]2COS(=O)(=O)O)NS(=O)(=O)c2c(C)cc(OC)c(C)c2C)C(=O)N2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.48

▸	AVPR1B	P47901	6/20	0.36

▸	AVPR1A	P37288	5/20	0.34

▸	PLG	P00747	1/20	0.32

▸	SERPINC1	P01008	1/20	0.32

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
SCHEMBL13551195	0.92	F2 (0.57)	F2AVPR1BAVPR1APLGSERPINC1
SCHEMBL16085110	0.79	F2 (0.48)	F2PLG
SCHEMBL4732411	0.78	F2 (0.46)	F2AVPR1BAVPR1APLGSERPINC1
SCHEMBL4732589	0.75	F2 (0.42)	F2
SCHEMBL14959654	0.75	AVPR1B (0.47)	AVPR1BAVPR1APLG
SCHEMBL14959645	0.74	PLG (0.52)	AVPR1BAVPR1APLG
SCHEMBL12458583	0.74	F2 (0.47)	F2SERPINC1
SCHEMBL12799295	0.74	F2 (0.47)	F2SERPINC1
SCHEMBL12458591	0.71	F2 (0.42)	F2
SCHEMBL12458604	0.71	F2 (0.42)	F2

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-8445450-B2	Antithrombotic dual inhibitors comprising a biotin residue	MERCK SHARP & DOHME B.V. (NL)	2013-05-21	—	—	US	disclosed