SCHEMBL17613748

CC(C)(C)[C@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(=O)NP)C2(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CTSV	O60911	1/20	0.55

▸	CTSL	P07711	1/20	0.55

▸	CTSB	P07858	1/20	0.55

▸	ELANE	P08246	1/20	0.55

▸	CMA1	P23946	1/20	0.55

▸	CTSS	P25774	1/20	0.55

▸	CTSK	P43235	1/20	0.55

▸	CTSF	Q9UBX1	1/20	0.55

▸	F13A1	P00488	1/20	0.43

▸	TGM2	P21980	1/20	0.43

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
SCHEMBL16297655	1.00	CTSV (0.55)	CTSVCTSLCTSBELANECMA1
SCHEMBL7850065	0.94	CTSV (0.56)	CTSVCTSLCTSBELANECMA1
SCHEMBL16315647	0.89	CTSV (0.47)	CTSVCTSLCTSBELANECMA1
SCHEMBL13225259	0.85	CTSV (0.48)	CTSVCTSLCTSBELANECMA1
SCHEMBL16315591	0.84	CTSV (0.64)	CTSVCTSLCTSBELANECMA1
SCHEMBL8248171	0.84	CTSV (0.64)	CTSVCTSLCTSBELANECMA1
SCHEMBL16315592	0.82	CTSV (0.65)	CTSVCTSLCTSBELANECMA1
SCHEMBL8248669	0.82	CTSV (0.65)	CTSVCTSLCTSBELANECMA1
SCHEMBL17613786	0.82	CTSV (0.71)	CTSVCTSLCTSBELANECMA1
SCHEMBL12142687	0.80	F13A1 (0.41)	F13A1TGM2

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
EP-1919478-B1	COMBINATION OF HCV PROTEASE INHIBITORS WITH A SURFACTANT	MERCK SHARP & DOHME (US)	2016-03-23	—	—	EP	disclosed