SCHEMBL7744149

CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OCCCNC(=O)CC[C@H](NC(=O)c3ccc(N/N=C/c4ccccc4S(=O)(=O)O)nc3)C(=O)NCCCOc3ccc(C[C@H]4NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC4=O)cc3)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.42

▸	NFE2L2	Q16236	1/20	0.42

▸	ALB	P02768	1/20	0.40

▸	KDM4A	O75164	1/20	0.40

▸	ITGB3	P05106	8/20	0.39

▸	ITGAV	P06756	8/20	0.39

▸	ITGB5	P18084	3/20	0.39

▸	ITGB1	P05556	2/20	0.39

▸	ITGA5	P08648	2/20	0.39

▸	CTSG	P08311	2/20	0.39

▸	PLAU	P00749	2/20	0.39

▸	NNMT	P40261	1/20	0.37

▸	MC4R	P32245	2/20	0.36

▸	MC5R	P33032	2/20	0.36

▸	MC3R	P41968	2/20	0.36

▸	MC1R	Q01726	2/20	0.36

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
SCHEMBL7743625	0.95	TPSAB1 (0.41)	KEAP1NFE2L2ALBKDM4AITGB3
SCHEMBL14585800	0.92	KDM4A (0.43)	KEAP1NFE2L2KDM4AITGB3ITGAV
SCHEMBL7738154	0.92	KDM4A (0.43)	KEAP1NFE2L2KDM4AITGB3ITGAV
SCHEMBL7746128	0.92	KDM4A (0.43)	KEAP1NFE2L2KDM4AITGB3ITGAV
SCHEMBL7738391	0.92	ITGB3 (0.43)	KEAP1NFE2L2ITGB3ITGAVITGB5
SCHEMBL7744244	0.92	ITGB3 (0.43)	KEAP1NFE2L2ITGB3ITGAVITGB5
SCHEMBL7738161	0.92	KEAP1 (0.44)	KEAP1NFE2L2KDM4AITGB3ITGAV
SCHEMBL7744380	0.90	KEAP1 (0.43)	KEAP1NFE2L2ITGB3ITGAVITGB5
SCHEMBL7743585	0.90	ITGB3 (0.41)	KEAP1NFE2L2ALBITGB3ITGAV
SCHEMBL7738529	0.87	AVPR2 (0.43)	ITGB3ITGAVITGB5ITGB1ITGA5

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