SCHEMBL8253757

C=CCNC(=O)C(=O)[C@@H](CCC)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(=O)(=O)c1ccccn1)C(C)(C)C)C(C)(C)C)C2(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	2/20	0.38

▸	CTSB	P07858	2/20	0.38

▸	CTSK	P43235	2/20	0.38

▸	CTSV	O60911	1/20	0.38

▸	ELANE	P08246	1/20	0.38

▸	CMA1	P23946	1/20	0.38

▸	CTSS	P25774	1/20	0.38

▸	CTSF	Q9UBX1	1/20	0.38

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
SCHEMBL8254662	1.00	CTSL (0.38)	CTSLCTSBCTSKCTSVELANE
SCHEMBL13251700	0.97	CTSV (0.37)	CTSLCTSBCTSKCTSVELANE
SCHEMBL8252626	0.96	CTSV (0.39)	CTSLCTSBCTSKCTSVELANE
SCHEMBL13251496	0.93	CTSV (0.37)	CTSLCTSBCTSKCTSVELANE
SCHEMBL8250114	0.93	ELANE (0.46)	CTSLCTSBCTSKCTSVELANE
SCHEMBL13272885	0.93	CTSV (0.37)	CTSLCTSBCTSKCTSVELANE
SCHEMBL8257312	0.92	CTSL (0.32)	CTSLCTSBCTSKCTSVELANE
SCHEMBL8245737	0.92	CTSL (0.32)	CTSLCTSBCTSKCTSVELANE
SCHEMBL8252578	0.92	CTSL (0.38)	CTSLCTSBCTSKCTSVELANE
SCHEMBL8281204	0.91	CTSL (0.33)	CTSLCTSBCTSKCTSVELANE

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-2006130686-A2	HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD	SCHERING CORPORATION (US)	2006-12-07	—	—	WO	disclosed