SCHEMBL31064821

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.51

▸	CTSD	P07339	1/20	0.49

▸	REN	P00797	1/20	0.46

▸	MME	P08473	3/20	0.46

▸	ACE	P12821	2/20	0.46

▸	CPA1	P15085	2/20	0.46

▸	ACE2	Q9BYF1	2/20	0.46

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
SCHEMBL27852467	0.89	MME (0.53)	MMEACECPA1ACE2
SCHEMBL27852469	0.89	MME (0.53)	MMEACECPA1ACE2
SCHEMBL31243863	0.89	HRH1 (0.49)	BACE1CTSD
SCHEMBL29658158	0.88	MME (0.50)	MMEACECPA1ACE2
SCHEMBL30051579	0.88	MME (0.55)	MMEACECPA1ACE2
SCHEMBL6812694	0.88	MME (0.57)	MMEACECPA1ACE2
SCHEMBL6812691	0.88	MME (0.57)	MMEACECPA1ACE2
SCHEMBL30799615	0.87	MME (0.55)	RENMME
SCHEMBL30292595	0.83	CTSB (0.56)	BACE1CTSD
SCHEMBL30753642	0.83	MME (0.50)	BACE1MMEACECPA1ACE2

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-118581102-A	Corn aspergillus flavus resistance gene ZmAFR, expression product, excellent haplotype and application thereof in corn breeding	河南农业大学	2024-09-03	—	—	CN	disclosed