SCHEMBL30512733

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

nearest known ligand 0.63

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	7/20	0.63

▸	PTH1R	Q03431	1/20	0.50

▸	MDM4	O15151	1/20	0.49

▸	MDM2	Q00987	1/20	0.49

▸	BACE2	Q9Y5Z0	2/20	0.48

▸	CTSD	P07339	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
SCHEMBL29714744	0.92	BACE1 (0.59)	BACE1PTH1R
SCHEMBL30483435	0.89	BACE1 (0.57)	BACE1PTH1R
SCHEMBL29461536	0.89	BACE1 (0.62)	BACE1PTH1R
SCHEMBL29714704	0.88	BACE1 (0.57)	BACE1PTH1RBACE2
SCHEMBL30512687	0.87	BACE1 (0.56)	BACE1PTH1R
SCHEMBL29679584	0.87	BACE1 (0.53)	BACE1
SCHEMBL29645131	0.86	BACE1 (0.56)	BACE1CTSD
SCHEMBL38664588	0.86	BACE1 (0.68)	BACE1
SCHEMBL29645136	0.86	BACE1 (0.57)	BACE1MDM4MDM2BACE2CTSD
SCHEMBL30903279	0.85	BACE1 (0.62)	BACE1

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-116490215-A	Targeted mediated endocytic drug delivery	CRM医疗有限公司	2023-07-25	—	—	CN	disclosed