SCHEMBL13689239

C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CSC[C@@H](C(=O)NCCO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CTSG	P08311	2/20	0.54

▸	PLAU	P00749	2/20	0.54

▸	CACNA1B	Q00975	1/20	0.52

▸	ITGB3	P05106	3/20	0.52

▸	ITGB1	P05556	1/20	0.52

▸	ITGAV	P06756	1/20	0.52

▸	ITGA5	P08648	1/20	0.52

▸	ITGB5	P18084	1/20	0.52

▸	MC4R	P32245	6/20	0.50

▸	MC5R	P33032	6/20	0.50

▸	MC3R	P41968	6/20	0.50

▸	MC1R	Q01726	6/20	0.50

▸	KLKB1	P03952	5/20	0.50

▸	ITGA2B	P08514	2/20	0.47

▸	GRB7	Q14451	1/20	0.46

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
SCHEMBL14962605	0.90	MC4R (0.54)	CTSGPLAUCACNA1BITGB3ITGB1
SCHEMBL14845481	0.88	CTSG (0.51)	CTSGPLAUCACNA1BITGB3ITGB1
SCHEMBL13656508	0.87	MC4R (0.51)	CTSGPLAUITGB3ITGB1ITGAV
SCHEMBL20809943	0.87	GRB7 (0.54)	CTSGCACNA1BITGB3ITGB1ITGAV
SCHEMBL12462669	0.87	GRB7 (0.54)	CTSGCACNA1BITGB3ITGB1ITGAV
SCHEMBL10046415	0.87	GRB7 (0.54)	CTSGCACNA1BITGB3ITGB1ITGAV
SCHEMBL13014693	0.86	CTSG (0.55)	CTSGPLAUCACNA1BITGB3ITGB1
SCHEMBL16349774	0.86	MC4R (0.51)	CTSGPLAUITGB3ITGB1ITGAV
SCHEMBL15335358	0.86	CTSG (0.50)	CTSGPLAUCACNA1BITGB3ITGB1
SCHEMBL13649565	0.85	MC4R (0.55)	CTSGPLAUCACNA1BITGB3ITGB1

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
WO-2009108484-A1	SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS	GE HEALTHCARE LIMITED (GB)	2009-09-03	—	—	WO	disclosed