SCHEMBL30974451

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	7/20	0.47

▸	CTSD	P07339	2/20	0.45

▸	TFPI	P10646	1/20	0.45

▸	OPRL1	P41146	1/20	0.43

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
SCHEMBL30069130	0.93	TFPI (0.50)	BACE1CTSDTFPI
SCHEMBL30069080	0.93	TFPI (0.50)	BACE1CTSDTFPI
SCHEMBL30069097	0.89	TFPI (0.46)	BACE1TFPI
SCHEMBL30069111	0.86	TFPI (0.59)	TFPI
SCHEMBL30069083	0.85	TFPI (0.52)	BACE1CTSDTFPI
SCHEMBL30069066	0.84	TFPI (0.47)	BACE1TFPI
SCHEMBL30069068	0.84	TFPI (0.47)	BACE1TFPI
SCHEMBL30069076	0.84	TFPI (0.47)	BACE1TFPI
SCHEMBL30906691	0.84	BACE1 (0.46)	BACE1CTSDTFPI
SCHEMBL31256786	0.83	OPRM1 (0.45)	TFPI

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