SCHEMBL7203259

CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@@]1(C(=O)O)c1ccc(NC(N)=O)c(C)c1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB1	P05556	4/20	0.36

▸	ITGA4	P13612	4/20	0.36

▸	BACE1	P56817	2/20	0.35

▸	FNTA	P49354	2/20	0.35

▸	FNTB	P49356	2/20	0.35

▸	PGGT1B	P53609	1/20	0.35

▸	CCR1	P32246	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
SCHEMBL7199074	0.94	CCKBR (0.36)	BACE1FNTAFNTBPGGT1BCCR1
SCHEMBL7197725	0.91	ITGB1 (0.41)	ITGB1ITGA4BACE1CCR1
SCHEMBL7197381	0.87	ITGB1 (0.41)	ITGB1ITGA4BACE1CCR1
SCHEMBL7201997	0.85	BACE1 (0.35)	BACE1CCR1
SCHEMBL7198903	0.84	CTSL (0.39)	ITGB1ITGA4BACE1CCR1
SCHEMBL7199086	0.84	ITGB1 (0.40)	ITGB1ITGA4BACE1CCR1
SCHEMBL7200493	0.82	ITGB1 (0.43)	ITGB1ITGA4BACE1CCR1
SCHEMBL7198890	0.79	CTSL (0.38)	ITGB1ITGA4BACE1
SCHEMBL7196140	0.79	ITGB1 (0.38)	ITGB1ITGA4BACE1
SCHEMBL7201999	0.75	CTSL (0.38)	ITGB1ITGA4BACE1CCR1

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