SCHEMBL8250187

C=CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)N[C@H](CN1C(=O)CC(C)(C)CC1=O)C(C)(C)C)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	BIRC2	Q13490	6/20	0.34

▸	F2	P00734	3/20	0.33

▸	F10	P00742	1/20	0.33

▸	CTSB	P07858	2/20	0.32

▸	CTSV	O60911	1/20	0.31

▸	CTSL	P07711	1/20	0.31

▸	ELANE	P08246	1/20	0.31

▸	CMA1	P23946	1/20	0.31

▸	CTSS	P25774	1/20	0.31

▸	CTSK	P43235	1/20	0.31

▸	CTSF	Q9UBX1	1/20	0.31

▸	NTSR1	P30989	2/20	0.31

▸	PLAT	P00750	1/20	0.30

▸	PRSS1	P07477	1/20	0.30

▸	XIAP	P98170	1/20	0.30

▸	BIRC3	Q13489	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
SCHEMBL8252062	0.93	BIRC2 (0.33)	BIRC2F2F10CTSBCTSL
SCHEMBL8254424	0.92	BIRC2 (0.34)	BIRC2F2CTSBCTSVCTSL
SCHEMBL16298080	0.91	ELANE (0.39)	F2F10CTSBCTSVCTSL
SCHEMBL8239430	0.91	BIRC2 (0.33)	BIRC2F2NTSR1PLATPRSS1
SCHEMBL8251662	0.90	BIRC2 (0.34)	BIRC2XIAPBIRC3
SCHEMBL16298208	0.90	CTSB (0.40)	BIRC2F2CTSBCTSVCTSL
SCHEMBL8279420	0.89	ELANE (0.42)	F2F10CTSBCTSVCTSL
SCHEMBL8256585	0.87	CTSV (0.44)	CTSBCTSVCTSLELANECMA1
SCHEMBL8250926	0.86	ELANE (0.32)	CTSBCTSVCTSLELANECMA1
SCHEMBL8247624	0.85	CTSB (0.34)	CTSBCTSVCTSLELANECMA1

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
WO-2006130628-A2	COMBINATION OF HCV PROTEASE INHIBITORS WITH A SURFACTANT	SCHERING CORPORATION (US)	2006-12-07	—	—	WO	disclosed