SCHEMBL31031606

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	2/20	0.43

▸	CALCRL	Q16602	6/20	0.43

▸	CTSD	P07339	1/20	0.41

▸	BACE1	P56817	1/20	0.41

▸	RAMP1	O60894	1/20	0.40

▸	XIAP	P98170	1/20	0.40

▸	AKT1	P31749	2/20	0.39

▸	OPRM1	P35372	1/20	0.39

▸	OPRD1	P41143	1/20	0.39

▸	AGTR1	P30556	2/20	0.38

▸	AGTR2	P50052	1/20	0.38

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
SCHEMBL31031531	0.90	CALCRL (0.45)	CALCRLCTSDBACE1RAMP1XIAP
SCHEMBL30009448	0.87	BACE1 (0.50)	KEAP1CALCRLCTSDBACE1RAMP1
SCHEMBL31031561	0.83	NPY2R (0.52)	—
SCHEMBL29641613	0.81	KEAP1 (0.51)	KEAP1CALCRLRAMP1OPRM1OPRD1
SCHEMBL31031591	0.81	NPY2R (0.56)	—
SCHEMBL9058995	0.80	RAMP3 (0.56)	KEAP1CALCRL
SCHEMBL9058997	0.80	RAMP3 (0.56)	KEAP1CALCRL
SCHEMBL31419688	0.80	RAMP3 (0.51)	KEAP1CALCRL
SCHEMBL30978825	0.80	BACE1 (0.50)	KEAP1CTSDBACE1
SCHEMBL32667960	0.79	BACE1 (0.51)	KEAP1CALCRLCTSDBACE1XIAP

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-2024132725-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	disclosed