SCHEMBL30974486

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

nearest known ligand 0.44

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ERAP2	Q6P179	1/20	0.43

▸	ERAP1	Q9NZ08	1/20	0.43

▸	LNPEP	Q9UIQ6	1/20	0.43

▸	BACE1	P56817	10/20	0.42

▸	BACE2	Q9Y5Z0	2/20	0.42

▸	NTSR2	O95665	1/20	0.41

▸	NTSR1	P30989	1/20	0.41

▸	CTSD	P07339	2/20	0.41

▸	NPY1R	P25929	1/20	0.40

▸	NPY2R	P49146	1/20	0.40

▸	NPY4R	P50391	1/20	0.40

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
SCHEMBL38659778	0.94	BACE1 (0.47)	BACE1BACE2CTSD
SCHEMBL29630480	0.92	NTSR2 (0.46)	ERAP2ERAP1LNPEPBACE1BACE2
SCHEMBL29591847	0.91	ERAP2 (0.48)	ERAP2ERAP1LNPEPBACE1BACE2
SCHEMBL10336059	0.91	BACE1 (0.51)	BACE1BACE2CTSD
SCHEMBL10336062	0.91	BACE1 (0.51)	BACE1BACE2CTSD
SCHEMBL31232452	0.91	FOLH1 (0.47)	ERAP2ERAP1LNPEPBACE1BACE2
SCHEMBL31020749	0.90	BACE1 (0.44)	BACE1BACE2
SCHEMBL29695600	0.90	BACE1 (0.51)	BACE1BACE2CTSD
SCHEMBL29367178	0.89	NMT1 (0.44)	—
SCHEMBL29530673	0.89	FOLH1 (0.41)	—

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-2024132726-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	disclosed