SCHEMBL14615550

COc1ccc(/C=C2\NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)NC(=O)C(F)(F)F)NC(=O)[C@H](C(C)C)NC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	19/20	0.42

▸	ITGAV	P06756	14/20	0.42

▸	ITGB1	P05556	9/20	0.42

▸	ITGA5	P08648	9/20	0.42

▸	ITGB6	P18564	7/20	0.42

▸	ITGB8	P26012	7/20	0.42

▸	ITGB5	P18084	6/20	0.42

▸	ITGA2B	P08514	7/20	0.39

▸	KDM4A	O75164	1/20	0.35

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
SCHEMBL14585783	0.86	ITGB3 (0.49)	ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL8363710	0.81	ITGB3 (0.45)	ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL14585796	0.81	ITGB3 (0.49)	ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL14585791	0.79	ITGB3 (0.38)	ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL14585782	0.77	ITGB3 (0.43)	ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL8365684	0.76	ITGB3 (0.41)	ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL14585813	0.76	ITGB3 (0.41)	ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL14585789	0.75	ITGB3 (0.47)	ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL8366299	0.74	ITGB3 (0.44)	ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL14585785	0.73	PLAU (0.42)	ITGB3ITGAVITGB1ITGA5ITGB5

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-7179446-B2	Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent	BRISTOL-MYERS SQUIBB PHARMA COMPANY (US)	2007-02-20	—	—	US	disclosed