SCHEMBL16301744

C=CCNC(=O)C(=O)C(C)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCS1(=O)=O)C(C)(C)C)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.40

▸	CYP3A5	P20815	1/20	0.40

▸	CYP3A7	P24462	1/20	0.40

▸	CYP3A43	Q9HB55	1/20	0.40

▸	CTSB	P07858	4/20	0.36

▸	ABCG2	Q9UNQ0	1/20	0.36

▸	CTSL	P07711	2/20	0.35

▸	CTSV	O60911	1/20	0.35

▸	PLG	P00747	1/20	0.35

▸	ELANE	P08246	1/20	0.35

▸	CMA1	P23946	1/20	0.35

▸	CTSS	P25774	1/20	0.35

▸	CTSK	P43235	1/20	0.35

▸	CELA1	Q9UNI1	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
SCHEMBL14628772	0.91	CYP3A4 (0.38)	CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL13225117	0.90	ABCG2 (0.39)	CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL14279449	0.89	CYP3A4 (0.33)	CYP3A4CYP3A5CYP3A7CYP3A43
SCHEMBL16301753	0.85	CYP3A4 (0.39)	CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL16301701	0.83	CYP3A4 (0.40)	CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL14628709	0.83	CYP3A4 (0.40)	CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL8248154	0.83	CTSB (0.41)	CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL8253355	0.82	CTSB (0.45)	CYP3A4CYP3A5CYP3A7CYP3A43CTSB
SCHEMBL8258235	0.81	CTSL (0.35)	CTSBABCG2CTSLCTSVPLG
SCHEMBL13225080	0.81	CTSB (0.39)	CYP3A4CYP3A5CYP3A7CYP3A43CTSB

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-8119602-B2	Administration of HCV protease inhibitors in combination with food to improve bioavailability	SCHERING CORPORATION (US)	2012-02-21	—	—	US	disclosed