SCHEMBL7202292

CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@@]1(C(N)=O)c1ccnc(NC(N)=O)c1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	1/20	0.38

▸	REN	P00797	3/20	0.38

▸	ITGB1	P05556	1/20	0.37

▸	ITGA4	P13612	1/20	0.37

▸	PSEN1	P49768	2/20	0.35

▸	PSEN2	P49810	2/20	0.35

▸	APH1B	Q8WW43	2/20	0.35

▸	NCSTN	Q92542	2/20	0.35

▸	APH1A	Q96BI3	2/20	0.35

▸	PSENEN	Q9NZ42	2/20	0.35

▸	KEAP1	Q14145	2/20	0.35

▸	BACE1	P56817	7/20	0.35

▸	CTSD	P07339	4/20	0.35

▸	BACE2	Q9Y5Z0	2/20	0.35

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
SCHEMBL7198890	0.96	CTSL (0.38)	CTSLRENITGB1ITGA4PSEN1
SCHEMBL7197381	0.88	ITGB1 (0.41)	CTSLITGB1ITGA4PSEN1PSEN2
SCHEMBL7196140	0.86	ITGB1 (0.38)	CTSLRENITGB1ITGA4PSEN1
SCHEMBL7200493	0.84	ITGB1 (0.43)	CTSLITGB1ITGA4PSEN1PSEN2
SCHEMBL7198903	0.84	CTSL (0.39)	CTSLITGB1ITGA4PSEN1PSEN2
SCHEMBL7197725	0.84	ITGB1 (0.41)	CTSLITGB1ITGA4PSEN1PSEN2
SCHEMBL7199086	0.83	ITGB1 (0.40)	CTSLITGB1ITGA4PSEN1PSEN2
SCHEMBL7198167	0.82	CTSL (0.38)	CTSLRENITGB1ITGA4PSEN1
SCHEMBL7197696	0.81	ITGB1 (0.37)	CTSLRENITGB1ITGA4PSEN1
SCHEMBL7201999	0.78	CTSL (0.38)	CTSLRENITGB1ITGA4PSEN1

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-6596687-B1	For treatment of many inflammatory and autoimmune diseases	BIOGEN, INC.	2003-07-22	—	—	US	claimed