SCHEMBL23743621

CC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(=O)NC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	PLAU	P00749	2/20	0.50

▸	ITGB3	P05106	1/20	0.48

▸	ITGB1	P05556	1/20	0.48

▸	ITGAV	P06756	1/20	0.48

▸	ITGA5	P08648	1/20	0.48

▸	ITGB5	P18084	1/20	0.48

▸	KLKB1	P03952	3/20	0.47

▸	CD274	Q9NZQ7	2/20	0.46

▸	EPHA2	P29317	3/20	0.45

▸	EPS15	P42566	1/20	0.45

▸	PIN1	Q13526	4/20	0.45

▸	PDCD1	Q15116	1/20	0.44

▸	KLK5	Q9Y337	2/20	0.44

▸	ALB	P02768	1/20	0.44

▸	HDAC4	P56524	1/20	0.44

▸	ST14	Q9Y5Y6	1/20	0.43

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
SCHEMBL23743622	0.96	KLKB1 (0.50)	PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL24218681	0.94	PLAU (0.52)	PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL24218684	0.94	PLAU (0.52)	PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL24218672	0.87	CD274 (0.55)	PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL23743517	0.87	CD274 (0.52)	PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL24218677	0.87	ITGB3 (0.56)	PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL24218645	0.87	CIB1 (0.47)	PLAUKLKB1CD274EPS15PIN1
SCHEMBL23743610	0.86	KLK5 (0.49)	PLAUITGB3ITGB1ITGAVITGA5
SCHEMBL24218656	0.86	KLKB1 (0.56)	PLAUKLKB1CD274PDCD1KLK5
SCHEMBL24218647	0.84	KLK5 (0.48)	PLAUKLKB1CD274EPHA2EPS15

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-2021156792-A1	TARGETED PLASMA PROTEIN DEGRADATION	NOVARTIS AG (CH)	2021-08-12	—	—	WO	disclosed