SCHEMBL7743625

CC(C)[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)C(CCCCNC(=O)[C@H](CCC(=O)NCCCC[C@H]2NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC2=O)NC(=O)c2ccc(NN=Cc3ccccc3S(=O)(=O)O)nc2)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	TPSAB1	Q15661	3/20	0.41

▸	ITGB3	P05106	10/20	0.39

▸	ITGAV	P06756	8/20	0.39

▸	ITGB1	P05556	5/20	0.39

▸	ITGA5	P08648	5/20	0.39

▸	ITGB5	P18084	2/20	0.39

▸	ALB	P02768	1/20	0.38

▸	KDM4A	O75164	1/20	0.37

▸	CTSG	P08311	2/20	0.37

▸	KLKB1	P03952	1/20	0.37

▸	KEAP1	Q14145	1/20	0.37

▸	NFE2L2	Q16236	1/20	0.37

▸	ITGA2B	P08514	2/20	0.37

▸	PLAU	P00749	1/20	0.37

▸	ITGB6	P18564	2/20	0.37

▸	ITGB8	P26012	2/20	0.37

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
SCHEMBL7744149	0.95	KEAP1 (0.42)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL7738391	0.94	ITGB3 (0.43)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL7744244	0.94	ITGB3 (0.43)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL7743585	0.91	ITGB3 (0.41)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL7744380	0.91	KEAP1 (0.43)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL8366378	0.87	TPSAB1 (0.39)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL7738161	0.86	KEAP1 (0.44)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14585811	0.86	ITGB3 (0.42)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL14615548	0.86	ITGB3 (0.42)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL14585794	0.86	KEAP1 (0.40)	TPSAB1ITGB3ITGAVITGB1ITGA5

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-6537520-B1	Diagnosis and treatment of cancer; kit containing compound having peptide or peptidomimetic functionality that binds to a alpha v beta 3 receptor linked to a chelator	BRISTOL-MYERS SQUIBB PHARMA COMPANY	2003-03-25	—	—	US	disclosed