SCHEMBL8366378

CC[C@H]1NC(=O)C(CCCCNC(=O)C(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)NC2=O)NC(=O)c2ccc(NN=Cc3ccccc3S)nc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	TPSAB1	Q15661	5/20	0.39

▸	KDM4A	O75164	1/20	0.37

▸	ITGB3	P05106	9/20	0.35

▸	ITGAV	P06756	7/20	0.35

▸	ITGB1	P05556	4/20	0.35

▸	ITGA5	P08648	4/20	0.35

▸	ITGB5	P18084	2/20	0.35

▸	ALB	P02768	1/20	0.35

▸	KEAP1	Q14145	1/20	0.34

▸	NFE2L2	Q16236	1/20	0.34

▸	ITGA2B	P08514	2/20	0.34

▸	CSNK2A2	P19784	1/20	0.33

▸	CSNK2B	P67870	1/20	0.33

▸	CSNK2A1	P68400	1/20	0.33

▸	CSNK2A3	Q8NEV1	1/20	0.33

▸	KLKB1	P03952	2/20	0.33

▸	ITGB6	P18564	1/20	0.32

▸	ITGB8	P26012	1/20	0.32

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
SCHEMBL8365143	0.94	TPSAB1 (0.41)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL8365735	0.91	CXCR4 (0.42)	TPSAB1ITGB3ITGAVKEAP1NFE2L2
SCHEMBL8365137	0.88	TPSAB1 (0.41)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL7743625	0.87	TPSAB1 (0.41)	TPSAB1KDM4AITGB3ITGAVITGB1
SCHEMBL7744149	0.82	KEAP1 (0.42)	KDM4AITGB3ITGAVITGB1ITGA5
SCHEMBL7738391	0.81	ITGB3 (0.43)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL7744244	0.81	ITGB3 (0.43)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL8365139	0.79	ITGB3 (0.41)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL7743585	0.78	ITGB3 (0.41)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL8365683	0.78	KDM4A (0.44)	KDM4AITGB3ITGAVITGB1ITGA5

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