SCHEMBL18505848

NCCC[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CON)NC(=O)CSC[C@@H](C(=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)CNC1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	10/20	0.57

▸	ITGAV	P06756	6/20	0.57

▸	ITGB1	P05556	1/20	0.51

▸	ITGA5	P08648	1/20	0.51

▸	ITGB5	P18084	3/20	0.49

▸	SLC40A1	Q9NP59	3/20	0.47

▸	ITGA2B	P08514	4/20	0.45

▸	MC4R	P32245	2/20	0.45

▸	MC5R	P33032	2/20	0.45

▸	MC3R	P41968	2/20	0.45

▸	MC1R	Q01726	2/20	0.45

▸	GRB7	Q14451	1/20	0.44

▸	CTSG	P08311	1/20	0.42

▸	PLAU	P00749	1/20	0.41

▸	KLKB1	P03952	1/20	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
SCHEMBL15188715	0.94	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL15317804	0.94	ITGB3 (0.65)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14115074	0.94	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL19725655	0.94	ITGB3 (0.55)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL16349779	0.93	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL16349754	0.93	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL16298655	0.93	ITGB3 (0.55)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL22003475	0.93	ITGB3 (0.55)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL10052602	0.93	ITGB3 (0.55)	ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL9909400	0.93	ITGB3 (0.55)	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-9567372-B2	Use of aniline in the radiostabilization of oxime ligation	GE HEALTHCARE LIMITED (GB)	2017-02-14	—	—	US	disclosed