SCHEMBL23960487

CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](I)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O

nearest known ligand 0.57

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CD274	Q9NZQ7	2/20	0.57

▸	PCSK9	Q8NBP7	1/20	0.57

▸	KLKB1	P03952	5/20	0.54

▸	EPHA2	P29317	1/20	0.53

▸	CIB1	Q99828	2/20	0.52

▸	PDCD1	Q15116	1/20	0.51

▸	ROR1	Q01973	1/20	0.51

▸	KDM4A	O75164	1/20	0.51

▸	TSLP	Q969D9	6/20	0.51

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
SCHEMBL25942530	0.95	PCSK9 (0.61)	CD274PCSK9KLKB1EPHA2CIB1
SCHEMBL25944356	0.91	PCSK9 (0.57)	CD274PCSK9KLKB1EPHA2CIB1
SCHEMBL25943437	0.91	CD274 (0.57)	CD274PCSK9KLKB1EPHA2CIB1
SCHEMBL23960378	0.88	CD274 (0.70)	CD274PCSK9KLKB1EPHA2CIB1
SCHEMBL25941528	0.86	PCSK9 (0.62)	CD274PCSK9KLKB1EPHA2KDM4A
SCHEMBL25943565	0.85	CD274 (0.65)	CD274PCSK9KLKB1EPHA2CIB1
SCHEMBL23960488	0.85	CD274 (0.65)	CD274PCSK9KLKB1EPHA2CIB1
SCHEMBL25944120	0.82	PCSK9 (0.57)	CD274PCSK9KLKB1EPHA2KDM4A
SCHEMBL25943583	0.82	KLKB1 (0.62)	CD274PCSK9KLKB1EPHA2CIB1
SCHEMBL29466958	0.78	CIB1 (0.66)	CD274PCSK9KLKB1EPHA2CIB1

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-2021217019-A1	RAS INHIBITORS AND USES THEREOF	THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US)	2021-10-28	—	—	WO	disclosed