SCHEMBL8280797

COC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@@]1(CSC(C)(C)C)[C@H](C)CCC[C@@H]1C)C1=CCCCC1)C2(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CTSV	O60911	1/20	0.32

▸	CTSL	P07711	1/20	0.32

▸	CTSB	P07858	1/20	0.32

▸	ELANE	P08246	1/20	0.32

▸	CMA1	P23946	1/20	0.32

▸	CTSS	P25774	1/20	0.32

▸	CTSK	P43235	1/20	0.32

▸	CTSF	Q9UBX1	1/20	0.32

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
SCHEMBL8281076	0.88	CTSV (0.32)	CTSVCTSLCTSBELANECMA1
SCHEMBL8279005	0.81	CTSV (0.32)	CTSVCTSLCTSBELANECMA1
SCHEMBL12141231	0.80	CTSV (0.34)	CTSVCTSLCTSBELANECMA1
SCHEMBL12161572	0.71	CTSV (0.40)	CTSVCTSLCTSBELANECMA1
SCHEMBL8281079	0.71	CTSV (0.34)	CTSVCTSLCTSBELANECMA1
SCHEMBL8280794	0.71	ALDH1A1 (0.35)	—
SCHEMBL8280208	0.71	CTSV (0.34)	CTSVCTSLCTSBELANECMA1
SCHEMBL8281078	0.70	CTSV (0.31)	CTSVCTSLCTSBELANECMA1
SCHEMBL12141237	0.67	CTSV (0.34)	CTSVCTSLCTSBELANECMA1
SCHEMBL24691122	0.62	CTSV (0.35)	CTSVCTSLCTSBELANECMA1

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
EP-1730110-B1	SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE	SCHERING CORP (US)	2010-06-09	—	—	EP	disclosed
WO-2005087731-A1	SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE	SCHERING CORPORATION (US)	2005-09-22	—	—	WO	disclosed