SCHEMBL10908030

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(=O)N1CC(CC(N)=O)=CS1

nearest known ligand 0.52

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	9/20	0.52

▸	CTSK	P43235	9/20	0.52

▸	REN	P00797	6/20	0.47

▸	CTSD	P07339	5/20	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
SCHEMBL11010919	0.95	CTSB (0.44)	CTSBCTSKREN
SCHEMBL10907806	0.90	CTSK (0.55)	CTSBCTSKRENCTSD
SCHEMBL10907853	0.81	CTSB (0.54)	CTSBCTSKRENCTSD
SCHEMBL10909548	0.81	CTSB (0.53)	CTSBCTSKRENCTSD
SCHEMBL10909792	0.81	CTSB (0.55)	CTSBCTSKRENCTSD
SCHEMBL10431432	0.80	CTSB (0.52)	CTSBCTSKREN
SCHEMBL10908290	0.80	CTSK (0.52)	CTSBCTSKRENCTSD
SCHEMBL10908701	0.79	CTSB (0.57)	CTSBCTSKREN
SCHEMBL10555284	0.78	CTSB (0.49)	CTSBCTSKRENCTSD
SCHEMBL11011996	0.77	REN (0.57)	CTSBCTSKREN

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
US-4613676-A	PEPTIDES	CIBA-GEIGY CORPORATION (US)	1986-09-23	—	—	US	disclosed