SCHEMBL24872452

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](N)CCCCCn2cc(CCCC(=O)NCCCCCC(=O)N3C[C@H](O)C[C@H]3CO[PH](=O)O)nn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	5/20	0.47

▸	ITGAV	P06756	5/20	0.47

▸	ITGB1	P05556	4/20	0.47

▸	ITGA5	P08648	4/20	0.47

▸	CHRNA7	P36544	1/20	0.39

▸	CHRNA10	Q9GZZ6	1/20	0.39

▸	CHRNA9	Q9UGM1	1/20	0.39

▸	KEAP1	Q14145	1/20	0.38

▸	NFE2L2	Q16236	1/20	0.38

▸	MC4R	P32245	9/20	0.38

▸	MC5R	P33032	9/20	0.38

▸	MC3R	P41968	9/20	0.38

▸	MC1R	Q01726	9/20	0.38

▸	ITGB5	P18084	1/20	0.37

▸	TSLP	Q969D9	1/20	0.37

▸	F2RL1	P55085	3/20	0.36

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
SCHEMBL24872354	0.84	MC4R (0.44)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15876015	0.79	ITGB3 (0.52)	ITGB3ITGAVITGB1ITGA5CHRNA7
SCHEMBL22738696	0.77	ITGB3 (0.52)	ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL19981446	0.77	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL22970321	0.77	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL7744260	0.77	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL7743670	0.77	ITGB3 (0.56)	ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL23999259	0.76	ITGB3 (0.52)	ITGB3ITGAVITGB1ITGA5KEAP1
SCHEMBL10138562	0.75	ITGB3 (0.59)	ITGB3ITGAVITGB1ITGA5CHRNA7
SCHEMBL15397365	0.75	ITGB3 (0.59)	ITGB3ITGAVITGB1ITGA5CHRNA7

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-2023283595-A2	INTEGRIN TARGETING LIGANDS FOR OCULAR DELIVERY OF RNAI COMPOUNDS	ALNYLAM PHARMACEUTICALS, INC. (US)	2023-01-12	—	—	WO	disclosed