SCHEMBL8365137

CC[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)CCC(NC(=O)C(Cc2ccccc2)NC(=O)c2ccc(NN=Cc3ccccc3S)nc2)C(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@@H](Cc2ccccc2)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	TPSAB1	Q15661	5/20	0.41

▸	CSNK2A2	P19784	1/20	0.39

▸	CSNK2B	P67870	1/20	0.39

▸	CSNK2A1	P68400	1/20	0.39

▸	CSNK2A3	Q8NEV1	1/20	0.39

▸	BCL2L1	Q07817	1/20	0.39

▸	BAD	Q92934	1/20	0.39

▸	ALB	P02768	1/20	0.38

▸	ITGB3	P05106	4/20	0.38

▸	ITGAV	P06756	4/20	0.38

▸	ITGB1	P05556	1/20	0.38

▸	ITGA5	P08648	1/20	0.38

▸	FURIN	P09958	1/20	0.37

▸	MMP2	P08253	1/20	0.36

▸	MMP7	P09237	1/20	0.36

▸	MMP9	P14780	1/20	0.36

▸	MMP12	P39900	1/20	0.36

▸	MMP13	P45452	1/20	0.36

▸	MC4R	P32245	4/20	0.36

▸	MC5R	P33032	4/20	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
SCHEMBL8365143	0.94	TPSAB1 (0.41)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL7743585	0.89	ITGB3 (0.41)	TPSAB1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL8365735	0.89	CXCR4 (0.42)	TPSAB1ITGB3ITGAVFURINCXCR4
SCHEMBL8366378	0.88	TPSAB1 (0.39)	TPSAB1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL7744244	0.86	ITGB3 (0.43)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL7738391	0.86	ITGB3 (0.43)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL8365139	0.84	ITGB3 (0.41)	TPSAB1ITGB3ITGAVITGB1ITGA5
SCHEMBL8365734	0.83	ITGB3 (0.46)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL8363695	0.83	ITGB3 (0.46)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL7744380	0.81	KEAP1 (0.43)	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