SCHEMBL17320143

C#CCC(NC(C)=O)C(=O)NCCCC[C@@H]1NC(=O)CSC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	4/20	0.52

▸	ITGAV	P06756	4/20	0.52

▸	CTSG	P08311	2/20	0.46

▸	MC4R	P32245	4/20	0.46

▸	MC5R	P33032	4/20	0.46

▸	MC3R	P41968	4/20	0.46

▸	MC1R	Q01726	4/20	0.46

▸	ITGB1	P05556	1/20	0.45

▸	ITGA5	P08648	1/20	0.45

▸	KEAP1	Q14145	1/20	0.45

▸	NFE2L2	Q16236	1/20	0.45

▸	PLAU	P00749	2/20	0.44

▸	SLC40A1	Q9NP59	1/20	0.44

▸	TSLP	Q969D9	6/20	0.43

▸	ITGB5	P18084	1/20	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
SCHEMBL15188715	0.89	ITGB3 (0.56)	ITGB3ITGAVCTSGMC4RMC5R
SCHEMBL19725710	0.89	ITGB3 (0.56)	ITGB3ITGAVCTSGMC4RMC5R
SCHEMBL19725628	0.89	ITGB3 (0.56)	ITGB3ITGAVCTSGMC4RMC5R
SCHEMBL9909400	0.88	ITGB3 (0.55)	ITGB3ITGAVCTSGMC4RMC5R
SCHEMBL10052602	0.88	ITGB3 (0.55)	ITGB3ITGAVCTSGMC4RMC5R
SCHEMBL22003475	0.88	ITGB3 (0.55)	ITGB3ITGAVCTSGMC4RMC5R
SCHEMBL16298655	0.88	ITGB3 (0.55)	ITGB3ITGAVCTSGMC4RMC5R
SCHEMBL15623630	0.88	CTSG (0.50)	ITGB3ITGAVCTSGMC4RMC5R
SCHEMBL19725655	0.88	ITGB3 (0.55)	ITGB3ITGAVCTSGMC4RMC5R
SCHEMBL19725625	0.87	ITGB3 (0.57)	ITGB3ITGAVCTSGMC4RMC5R

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-2266629-B1	Reagents and methods for radiolabelling of RGD-containing peptides.	HAMMERSMITH IMANET LTD (GB)	2015-12-09	—	—	EP	disclosed