SCHEMBL7196140

Cc1cc([C@]2(C(=O)O)CCCN2C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)Cc2ccccc2)C(C)C)cc(NC(N)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB1	P05556	3/20	0.38

▸	ITGA4	P13612	3/20	0.38

▸	CTSL	P07711	1/20	0.38

▸	CTSD	P07339	6/20	0.36

▸	PSEN1	P49768	2/20	0.36

▸	PSEN2	P49810	2/20	0.36

▸	APH1B	Q8WW43	2/20	0.36

▸	NCSTN	Q92542	2/20	0.36

▸	APH1A	Q96BI3	2/20	0.36

▸	PSENEN	Q9NZ42	2/20	0.36

▸	REN	P00797	2/20	0.35

▸	KEAP1	Q14145	2/20	0.35

▸	BACE1	P56817	5/20	0.35

▸	BACE2	Q9Y5Z0	1/20	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	0.90	CTSL (0.38)	ITGB1ITGA4CTSLCTSDPSEN1
SCHEMBL7200493	0.88	ITGB1 (0.43)	ITGB1ITGA4CTSLCTSDPSEN1
SCHEMBL7197725	0.87	ITGB1 (0.41)	ITGB1ITGA4CTSLCTSDPSEN1
SCHEMBL7202292	0.86	CTSL (0.38)	ITGB1ITGA4CTSLCTSDPSEN1
SCHEMBL7198903	0.86	CTSL (0.39)	ITGB1ITGA4CTSLCTSDPSEN1
SCHEMBL7199086	0.85	ITGB1 (0.40)	ITGB1ITGA4CTSLCTSDPSEN1
SCHEMBL7197381	0.83	ITGB1 (0.41)	ITGB1ITGA4CTSLCTSDPSEN1
SCHEMBL7201999	0.81	CTSL (0.38)	ITGB1ITGA4CTSLCTSDPSEN1
SCHEMBL7203259	0.79	ITGB1 (0.36)	ITGB1ITGA4BACE1
SCHEMBL7199074	0.77	CCKBR (0.36)	BACE1

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