SCHEMBL6879247

CC(C)[C@H]1NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNOC[C@H](N)CSSC[C@H](C(N)=O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CACNA1B	Q00975	1/20	0.50

▸	ITGB3	P05106	8/20	0.47

▸	ITGA2B	P08514	6/20	0.47

▸	ITGAV	P06756	3/20	0.47

▸	ITGB1	P05556	2/20	0.47

▸	ITGA5	P08648	2/20	0.47

▸	KLKB1	P03952	1/20	0.47

▸	NNMT	P40261	2/20	0.46

▸	PLAU	P00749	2/20	0.44

▸	ITGB5	P18084	1/20	0.44

▸	CTSG	P08311	2/20	0.43

▸	KDM4A	O75164	1/20	0.43

▸	KEAP1	Q14145	1/20	0.43

▸	ELANE	P08246	2/20	0.41

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
SCHEMBL15082201	0.90	CACNA1B (0.56)	CACNA1BITGB3ITGA2BITGAVITGB1
SCHEMBL7743802	0.81	ITGB3 (0.56)	CACNA1BITGB3ITGA2BITGAVITGB1
Cyclorgdfv SCHEMBL19605549	0.78	ITGB3 (0.58)	ITGB3ITGA2BITGAVITGB1ITGA5
Cyclorgdfv SCHEMBL19605449	0.78	ITGB3 (0.58)	ITGB3ITGA2BITGAVITGB1ITGA5
Cyclorgdfv SCHEMBL29973120	0.78	ITGB3 (0.58)	ITGB3ITGA2BITGAVITGB1ITGA5
Cyclorgdfv SCHEMBL25474158	0.78	ITGB3 (0.58)	ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL8365733	0.78	ITGB3 (0.53)	ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL14585809	0.77	ITGB3 (0.53)	ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL29359881	0.77	ITGB3 (0.67)	ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL29726666	0.77	ITGB3 (0.54)	ITGB3ITGA2BITGAVITGB5

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-2011079015-A1	RGD-CONTAINING CYCLIC PEPTIDES	THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US)	2011-06-30	—	—	WO	disclosed