SCHEMBL26200764

CC(C)(C)SC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CS[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	10/20	0.49

▸	ITGAV	P06756	8/20	0.49

▸	ITGB5	P18084	6/20	0.49

▸	ITGB1	P05556	2/20	0.49

▸	ITGA5	P08648	2/20	0.49

▸	MC4R	P32245	9/20	0.48

▸	MC5R	P33032	9/20	0.48

▸	MC3R	P41968	9/20	0.48

▸	MC1R	Q01726	9/20	0.48

▸	CACNA1B	Q00975	1/20	0.46

▸	ITGA2B	P08514	2/20	0.44

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
SCHEMBL22004632	0.96	ITGB3 (0.47)	ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14962599	0.92	ITGB3 (0.46)	ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL12353627	0.91	ITGB3 (0.52)	ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL30481164	0.88	ITGB3 (0.48)	ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL26200789	0.88	ITGB3 (0.49)	ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14210733	0.88	ITGB3 (0.56)	ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL10046561	0.88	ITGB3 (0.49)	ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL26200836	0.88	ITGB3 (0.49)	ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL10046406	0.88	ITGB3 (0.49)	ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL22382216	0.87	ITGB3 (0.45)	ITGB3ITGAVITGB5ITGB1ITGA5

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-2023166305-A1	METHODS FOR IMAGING INTEGRIN EXPRESSION AND FOR IMAGING SITES OF ENDOMETRIOSIS	SERAC HEALTHCARE LTD (GB)	2023-09-07	—	—	WO	disclosed