SCHEMBL31319514

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	17/20	0.51

▸	CTSD	P07339	2/20	0.49

▸	BACE2	Q9Y5Z0	2/20	0.48

▸	IL23R	Q5VWK5	1/20	0.48

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
SCHEMBL31319524	0.97	BACE1 (0.48)	BACE1CTSDBACE2IL23R
SCHEMBL31319506	0.93	BACE1 (0.50)	BACE1CTSDIL23R
SCHEMBL31319522	0.91	BACE1 (0.53)	BACE1CTSDBACE2
SCHEMBL30073889	0.89	BACE1 (0.48)	BACE1BACE2
SCHEMBL30208236	0.86	MME (0.46)	BACE1CTSDBACE2
SCHEMBL30362779	0.86	VIPR2 (0.53)	BACE1BACE2IL23R
SCHEMBL30543189	0.86	VIPR2 (0.53)	BACE1BACE2IL23R
SCHEMBL31658704	0.86	BACE1 (0.56)	BACE1CTSDBACE2
SCHEMBL31182534	0.85	TFPI (0.61)	IL23R
SCHEMBL29462368	0.84	VIPR2 (0.50)	BACE1BACE2IL23R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2025038031-A1	ENGINEERED MITOCHONDRION	AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG)	2025-02-20	—	—	WO	claimed
WO-2025038031-A1	ENGINEERED MITOCHONDRION	AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG)	2025-02-20	—	—	WO	disclosed