SCHEMBL14845480

CNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CONC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	6/20	0.52

▸	ITGAV	P06756	6/20	0.52

▸	ITGB1	P05556	2/20	0.46

▸	ITGA5	P08648	2/20	0.46

▸	MC4R	P32245	8/20	0.46

▸	MC5R	P33032	8/20	0.46

▸	MC3R	P41968	8/20	0.46

▸	MC1R	Q01726	8/20	0.46

▸	CTSG	P08311	2/20	0.45

▸	ITGB5	P18084	3/20	0.44

▸	KEAP1	Q14145	1/20	0.44

▸	NFE2L2	Q16236	1/20	0.44

▸	SLC40A1	Q9NP59	1/20	0.43

▸	PLAU	P00749	1/20	0.43

▸	TSLP	Q969D9	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
SCHEMBL12947539	0.97	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL9909402	0.97	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL14845482	0.96	ITGB3 (0.52)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15335356	0.96	ITGB3 (0.53)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL14115079	0.93	ITGB3 (0.57)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13062600	0.92	ITGB3 (0.49)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13062341	0.92	ITGB3 (0.48)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL9908267	0.91	ITGB3 (0.63)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13014865	0.91	ITGB3 (0.63)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13014695	0.91	ITGB3 (0.60)	ITGB3ITGAVITGB1ITGA5MC4R

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-8415510-B2	Synthesis of a PEG-6 moiety from commercial low-cost chemicals	GE HEALTHCARE LIMITED (GB)	2013-04-09	—	—	US	disclosed