SCHEMBL8243002

C=CCNC(=O)C(=O)C(CCC)NC(=O)[C@@H]1[C@H]2CCC3(CC3)[C@H]2CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)[S+](C)[O-])C(C)(C)C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	5/20	0.34

▸	CTSL	P07711	3/20	0.33

▸	CTSK	P43235	3/20	0.33

▸	CTSV	O60911	1/20	0.33

▸	ELANE	P08246	1/20	0.33

▸	CMA1	P23946	1/20	0.33

▸	CTSS	P25774	1/20	0.33

▸	CTSF	Q9UBX1	1/20	0.33

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
SCHEMBL8254714	0.96	CTSV (0.32)	CTSBCTSLCTSKCTSVELANE
SCHEMBL8240877	0.93	ELANE (0.39)	CTSBCTSLCTSKCTSVELANE
SCHEMBL8250416	0.93	CTSV (0.32)	CTSBCTSLCTSKCTSVELANE
SCHEMBL8250386	0.92	ELANE (0.43)	CTSBCTSLCTSKCTSVELANE
SCHEMBL16298045	0.91	ABCG2 (0.35)	CTSBCTSLCTSKCTSVELANE
SCHEMBL8246833	0.90	ABCG2 (0.30)	—
SCHEMBL8255665	0.90	ABCG2 (0.30)	—
SCHEMBL8248086	0.90	CTSV (0.34)	CTSBCTSLCTSKCTSVELANE
SCHEMBL8255000	0.90	CTSB (0.43)	CTSBCTSLCTSKCTSVELANE
SCHEMBL8246214	0.89	CTSB (0.34)	CTSBCTSLCTSKCTSVELANE

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
WO-2006130688-A2	COMPOUNDS FOR INHIBITING CATHEPSIN ACTIVITY	SCHERING CORPORATION (US)	2006-12-07	—	—	WO	disclosed
WO-2006130554-A2	METHODS OF TREATING HEPATITIS C VIRUS	SCHERING CORPORATION (US)	2006-12-07	—	—	WO	disclosed