SCHEMBL2367698

CC(C)(C)C[C@H](NC(=O)[C@@H](CC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N(c1c(F)c(F)c(F)c(F)c1F)[C@@H](Cc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CTSS	P25774	2/20	0.44

▸	CTSL	P07711	1/20	0.44

▸	CTSB	P07858	1/20	0.44

▸	BACE1	P56817	4/20	0.40

▸	ITGB3	P05106	1/20	0.40

▸	ITGAV	P06756	1/20	0.40

▸	MGLL	Q99685	3/20	0.39

▸	CTSK	P43235	1/20	0.38

▸	SYK	P43405	1/20	0.38

▸	PPARA	Q07869	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
SCHEMBL4097343	0.84	CTSB (0.54)	CTSSCTSLCTSBBACE1ITGB3
SCHEMBL2366818	0.77	ITGB3 (0.60)	CTSSCTSLCTSBBACE1ITGB3
SCHEMBL2367199	0.77	ITGB3 (0.60)	CTSSCTSLCTSBBACE1ITGB3
SCHEMBL2368213	0.76	CTSK (0.52)	CTSSCTSLCTSK
SCHEMBL4088197	0.76	CTSB (0.47)	CTSSCTSLCTSBBACE1ITGB3
SCHEMBL2367312	0.75	KLK5 (0.54)	CTSSCTSLCTSBBACE1ITGB3
SCHEMBL2367935	0.75	KLK5 (0.54)	CTSSCTSLCTSBBACE1ITGB3
SCHEMBL3045973	0.73	MGLL (0.46)	BACE1ITGB3ITGAVMGLLSYK
SCHEMBL3045978	0.73	MGLL (0.46)	BACE1ITGB3ITGAVMGLLSYK
SCHEMBL5134409	0.71	CTSL (0.72)	CTSSCTSLCTSBITGB3CTSK

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-2007794-B1	LYSOBACTIN AMIDES	AICURIS GMBH & CO KG (DE)	2011-09-14	—	—	EP	disclosed