SCHEMBL23743622

CC[C@@H]1NC(=O)[C@H](CC(N)=O)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 14)

	gene	UniProt	supporting neighbours	confidence
▸	KLKB1	P03952	10/20	0.50

▸	CD274	Q9NZQ7	2/20	0.50

▸	PLAU	P00749	2/20	0.49

▸	ITGB3	P05106	1/20	0.49

▸	ITGB1	P05556	1/20	0.49

▸	ITGAV	P06756	1/20	0.49

▸	ITGA5	P08648	1/20	0.49

▸	ITGB5	P18084	1/20	0.49

▸	PDCD1	Q15116	1/20	0.48

▸	EPS15	P42566	1/20	0.47

▸	ST14	Q9Y5Y6	1/20	0.45

▸	EPHA2	P29317	1/20	0.45

▸	ALB	P02768	1/20	0.45

▸	KLK5	Q9Y337	1/20	0.45

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
SCHEMBL23743621	0.96	PLAU (0.50)	KLKB1CD274PLAUITGB3ITGB1
SCHEMBL24218684	0.92	PLAU (0.52)	KLKB1CD274PLAUITGB3ITGB1
SCHEMBL24218681	0.92	PLAU (0.52)	KLKB1CD274PLAUITGB3ITGB1
SCHEMBL24218672	0.91	CD274 (0.55)	KLKB1CD274PLAUITGB3ITGB1
SCHEMBL23743517	0.91	CD274 (0.52)	KLKB1CD274PLAUITGB3ITGB1
SCHEMBL24218670	0.89	CD274 (0.48)	KLKB1CD274PLAUITGB3ITGB1
SCHEMBL24218677	0.89	ITGB3 (0.56)	KLKB1CD274PLAUITGB3ITGB1
SCHEMBL24218637	0.88	KLKB1 (0.54)	KLKB1CD274PLAUPDCD1EPS15
SCHEMBL24218678	0.86	ITGB3 (0.54)	KLKB1CD274PLAUITGB3ITGB1
SCHEMBL24218656	0.86	KLKB1 (0.56)	KLKB1CD274PLAUPDCD1ALB

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