SCHEMBL31174213

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	10/20	0.56

▸	PTH1R	Q03431	1/20	0.53

▸	KEAP1	Q14145	1/20	0.52

▸	CTSD	P07339	1/20	0.52

▸	VIPR2	P41587	1/20	0.52

▸	BACE2	Q9Y5Z0	1/20	0.51

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
SCHEMBL29416121	0.91	BACE1 (0.56)	BACE1CTSDBACE2
SCHEMBL29415987	0.91	BACE1 (0.56)	BACE1CTSDBACE2
SCHEMBL9751910	0.89	BACE1 (0.59)	BACE1PTH1RCTSD
SCHEMBL9751908	0.89	BACE1 (0.59)	BACE1PTH1RCTSD
SCHEMBL30433489	0.88	BACE1 (0.57)	BACE1PTH1RKEAP1
SCHEMBL29699573	0.87	BACE1 (0.64)	BACE1CTSDBACE2
SCHEMBL31182653	0.86	BACE1 (0.62)	BACE1PTH1RCTSDVIPR2BACE2
SCHEMBL30495638	0.86	BACE1 (0.59)	BACE1BACE2
SCHEMBL30512615	0.86	BACE1 (0.59)	BACE1PTH1RCTSDBACE2
SCHEMBL30901008	0.86	BACE1 (0.59)	BACE1CTSDBACE2

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-118853746-A	Application of brassica BnNST gene in improving crack resistance of brassica napus	中国农业科学院油料作物研究所	2024-10-29	—	—	CN	disclosed