SCHEMBL20809940

C/C(=N/O)C(C)(C)NCCC(CCNC(=O)CCCC(=O)NCCCC[C@@H]1NC(=O)CSC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)C(CS)NC1=O)CCNC(C)(C)/C(C)=N\O

nearest known ligand 0.49

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	5/20	0.49

▸	ITGAV	P06756	5/20	0.49

▸	SLC40A1	Q9NP59	1/20	0.46

▸	ITGB1	P05556	1/20	0.46

▸	ITGA5	P08648	1/20	0.46

▸	MC4R	P32245	3/20	0.45

▸	MC5R	P33032	3/20	0.45

▸	MC3R	P41968	3/20	0.45

▸	MC1R	Q01726	3/20	0.45

▸	KEAP1	Q14145	1/20	0.45

▸	NFE2L2	Q16236	1/20	0.45

▸	CTSG	P08311	2/20	0.44

▸	PLAU	P00749	2/20	0.43

▸	ALB	P02768	1/20	0.42

▸	ITGB5	P18084	2/20	0.42

▸	TSLP	Q969D9	5/20	0.42

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
SCHEMBL16063104	1.00	ITGB3 (0.49)	ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL13887996	1.00	ITGB3 (0.49)	ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL14962606	1.00	ITGB3 (0.49)	ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL13061299	1.00	ITGB3 (0.49)	ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL12462751	1.00	ITGB3 (0.49)	ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL10053082	0.98	ITGB3 (0.48)	ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL12361596	0.96	ITGB3 (0.46)	ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL22292608	0.96	ITGB3 (0.47)	ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL16349785	0.96	ITGB3 (0.50)	ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL16326787	0.95	ITGB3 (0.45)	ITGB3ITGAVSLC40A1ITGB1ITGA5

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
EP-1404371-B1	PEPTIDE-BASED COMPOUNDS FOR TARGETING INTERGIN RECEPTORS	GE HEALTHCARE LTD (GB)	2019-03-13	—	—	EP	disclosed