SCHEMBL30974563

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

nearest known ligand 0.51

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.51

▸	RXFP1	Q9HBX9	1/20	0.49

▸	BACE1	P56817	9/20	0.48

▸	KEAP1	Q14145	1/20	0.46

▸	CTSD	P07339	2/20	0.45

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
SCHEMBL31211801	0.94	BACE1 (0.50)	TFPIRXFP1BACE1KEAP1CTSD
SCHEMBL31211785	0.94	BACE1 (0.50)	TFPIRXFP1BACE1KEAP1CTSD
SCHEMBL31211755	0.94	BACE1 (0.50)	TFPIRXFP1BACE1KEAP1CTSD
SCHEMBL31211765	0.94	BACE1 (0.50)	TFPIRXFP1BACE1KEAP1CTSD
SCHEMBL28081112	0.93	TFPI (0.54)	TFPIRXFP1BACE1KEAP1
SCHEMBL28081205	0.93	TFPI (0.54)	TFPIRXFP1BACE1KEAP1
SCHEMBL28081230	0.91	TFPI (0.54)	TFPIRXFP1BACE1KEAP1
SCHEMBL30974358	0.91	TFPI (0.57)	TFPIRXFP1
SCHEMBL30262095	0.90	TFPI (0.54)	TFPIRXFP1BACE1CTSD
SCHEMBL28518994	0.90	TFPI (0.54)	TFPIRXFP1BACE1KEAP1

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