SCHEMBL13685099

CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@@H](C(=O)C(=O)NC2CC2)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(C)(C)C)S(=O)(=O)c1cccs1

nearest known ligand 0.33

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	MDM2	Q00987	2/20	0.31

▸	TP53	P04637	1/20	0.31

▸	L3MBTL1	Q9Y468	1/20	0.31

▸	PAX8	Q06710	2/20	0.31

▸	NPC1	O15118	1/20	0.31

▸	RAB9A	P51151	1/20	0.31

▸	SMN1; SMN2	Q16637	1/20	0.31

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
SCHEMBL12607402	0.93	MDM2 (0.31)	MDM2TP53L3MBTL1
SCHEMBL16349617	0.93	MDM2 (0.32)	MDM2TP53L3MBTL1
SCHEMBL13685066	0.93	MDM2 (0.32)	MDM2TP53L3MBTL1
SCHEMBL12606649	0.92	MDM2 (0.31)	MDM2TP53L3MBTL1
SCHEMBL12607108	0.92	MDM2 (0.31)	MDM2TP53L3MBTL1
SCHEMBL12606638	0.91	MDM2 (0.30)	MDM2TP53L3MBTL1
SCHEMBL13685072	0.91	MDM2 (0.30)	MDM2TP53L3MBTL1
SCHEMBL8289305	0.86	—	—
SCHEMBL13685726	0.84	L3MBTL1 (0.32)	L3MBTL1
SCHEMBL13685767	0.83	—	—

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7592419-B2	Macrocyclic inhibitors of hepatitis C virus NS3-serine protease	SCHERING CORPORATION (US)	2009-09-22	—	—	US	disclosed
US-7592419-B2	Macrocyclic inhibitors of hepatitis C virus NS3-serine protease	SCHERING CORPORATION (US)	2009-09-22	—	—	US	disclosed