SCHEMBL23743517

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(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)(C)C)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 0.52

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CD274	Q9NZQ7	2/20	0.52

▸	KLKB1	P03952	10/20	0.51

▸	PDCD1	Q15116	1/20	0.49

▸	EPS15	P42566	1/20	0.46

▸	ITGB3	P05106	1/20	0.45

▸	ITGB1	P05556	1/20	0.45

▸	ITGAV	P06756	1/20	0.45

▸	ITGA5	P08648	1/20	0.45

▸	ITGB5	P18084	1/20	0.45

▸	PLAU	P00749	3/20	0.45

▸	KRAS	P01116	1/20	0.44

▸	CIB1	Q99828	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
SCHEMBL23743622	0.91	KLKB1 (0.50)	CD274KLKB1PDCD1EPS15ITGB3
SCHEMBL24218684	0.89	PLAU (0.52)	CD274KLKB1PDCD1EPS15ITGB3
SCHEMBL24218681	0.89	PLAU (0.52)	CD274KLKB1PDCD1EPS15ITGB3
SCHEMBL24218637	0.89	KLKB1 (0.54)	CD274KLKB1PDCD1EPS15PLAU
SCHEMBL24218672	0.89	CD274 (0.55)	CD274KLKB1PDCD1EPS15ITGB3
SCHEMBL23743621	0.87	PLAU (0.50)	CD274KLKB1PDCD1EPS15ITGB3
SCHEMBL24218656	0.87	KLKB1 (0.56)	CD274KLKB1PDCD1PLAUCIB1
SCHEMBL24218650	0.87	KLKB1 (0.55)	CD274KLKB1PDCD1ITGB3ITGB1
SCHEMBL26951558	0.86	KLKB1 (0.47)	CD274KLKB1PDCD1PLAUCIB1
SCHEMBL24218677	0.86	ITGB3 (0.56)	CD274KLKB1PDCD1ITGB3ITGB1

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