SCHEMBL9867667

COC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)c1cccc(NC(=O)C(Cc2ccc(C#N)cc2)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CTSS	P25774	5/20	0.49

▸	CTSK	P43235	4/20	0.49

▸	USP30	Q70CQ3	2/20	0.43

▸	HDAC8	Q9BY41	1/20	0.41

▸	CTSB	P07858	2/20	0.41

▸	CTNNB1	P35222	1/20	0.39

▸	CTSL	P07711	1/20	0.39

▸	ITGB3	P05106	1/20	0.39

▸	ITGB1	P05556	1/20	0.39

▸	ITGAV	P06756	1/20	0.39

▸	ITGA2B	P08514	1/20	0.39

▸	ITGB5	P18084	1/20	0.39

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
SCHEMBL9867660	1.00	CTSS (0.49)	CTSSCTSKUSP30HDAC8CTSB
SCHEMBL9337361	0.90	CTSS (0.44)	CTSSCTSKUSP30CTNNB1
Iodide SCHEMBL9866746	0.90	CTSS (0.44)	CTSSCTSKHDAC8CTNNB1ITGB3
SCHEMBL9337444	0.90	CTSS (0.44)	CTSSCTSKHDAC8CTNNB1ITGB3
SCHEMBL9865501	0.90	CTSS (0.44)	CTSSCTSKHDAC8CTNNB1ITGB3
Iodide SCHEMBL9866737	0.90	CTSS (0.44)	CTSSCTSKHDAC8CTNNB1ITGB3
Iodide SCHEMBL9865458	0.89	CTSS (0.44)	CTSSCTSKHDAC8CTSBCTNNB1
Iodide SCHEMBL9865455	0.89	CTSS (0.44)	CTSSCTSKHDAC8CTSBCTNNB1
SCHEMBL9339298	0.85	ITGB3 (0.48)	CTSSCTSKHDAC8CTSBCTNNB1
SCHEMBL9339303	0.85	ITGB3 (0.48)	CTSSCTSKHDAC8CTSBCTNNB1

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-5039805-A	Novel benzoic and phenylacetic acid derivatives	HOFFMANN-LA ROCHE INC. (US)	1991-08-13	—	—	US	disclosed