SCHEMBL31454246

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.56

▸	IL23R	Q5VWK5	4/20	0.52

▸	BACE1	P56817	8/20	0.52

▸	CTSD	P07339	1/20	0.50

▸	KEAP1	Q14145	1/20	0.50

▸	BACE2	Q9Y5Z0	1/20	0.49

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
SCHEMBL30974433	0.91	TFPI (0.60)	TFPIBACE1CTSDBACE2
SCHEMBL31725269	0.90	TFPI (0.59)	TFPIBACE1CTSDBACE2
SCHEMBL29622911	0.89	TFPI (0.62)	TFPIBACE1CTSD
SCHEMBL30839569	0.87	TFPI (0.56)	TFPIBACE1CTSDKEAP1BACE2
SCHEMBL30421823	0.87	TFPI (0.61)	TFPIBACE1CTSDBACE2
SCHEMBL1594559	0.87	BACE1 (0.55)	TFPIBACE1KEAP1
SCHEMBL1594556	0.87	BACE1 (0.55)	TFPIBACE1KEAP1
SCHEMBL29591183	0.86	TFPI (0.67)	TFPIBACE1CTSDBACE2
SCHEMBL30883259	0.86	TFPI (0.62)	TFPIBACE1BACE2
SCHEMBL31183006	0.86	TFPI (0.65)	TFPIBACE1

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
CN-119633143-A	CEACAM 6-targeted nuclide ligand, PET probe, and preparation methods and applications thereof	江苏省原子医学研究所	2025-03-18	—	—	CN	disclosed