SCHEMBL13685736

CC1OCCCCCCCC[C@@H](C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c2ccccc2)NC(=O)[C@@H]2C3C(CN2C(=O)[C@H]1NC(=O)OC(C)(C)C)C3(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ELANE	P08246	3/20	0.33

▸	BACE1	P56817	2/20	0.32

▸	MMP1	P03956	1/20	0.31

▸	MMP3	P08254	1/20	0.31

▸	MMP9	P14780	1/20	0.31

▸	MMP8	P22894	1/20	0.31

▸	REN	P00797	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
SCHEMBL13685731	1.00	ELANE (0.33)	ELANEBACE1MMP1MMP3MMP9
SCHEMBL13685796	0.93	ELANE (0.32)	ELANEBACE1REN
SCHEMBL13685700	0.93	ELANE (0.32)	ELANEBACE1REN
SCHEMBL13686171	0.90	BACE1 (0.36)	ELANEBACE1REN
SCHEMBL13685129	0.90	BACE1 (0.36)	ELANEBACE1REN
SCHEMBL13685011	0.90	BACE1 (0.36)	ELANEBACE1REN
SCHEMBL13685780	0.90	REN (0.35)	ELANEBACE1REN
SCHEMBL13685691	0.90	ELANE (0.33)	ELANEBACE1REN
SCHEMBL13685757	0.90	ELANE (0.33)	ELANEBACE1REN
SCHEMBL13685772	0.90	REN (0.35)	ELANEBACE1REN

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