SCHEMBL30429020

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

nearest known ligand 0.62

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.62

▸	CTSD	P07339	1/20	0.55

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
Lignesfal SCHEMBL30151521	0.85	BACE1 (0.59)	BACE1CTSD
SCHEMBL30512649	0.84	OPRD1 (0.54)	—
SCHEMBL29867687	0.84	OPRM1 (0.56)	BACE1
SCHEMBL29876535	0.84	OPRM1 (0.56)	BACE1
SCHEMBL29848441	0.83	BACE1 (0.63)	BACE1CTSD
SCHEMBL30799519	0.83	BACE1 (0.68)	BACE1CTSD
SCHEMBL29414486	0.83	OPRM1 (0.55)	BACE1
SCHEMBL30787545	0.83	BACE1 (0.65)	BACE1CTSD
SCHEMBL30239836	0.82	BACE1 (0.58)	BACE1CTSD
SCHEMBL31697644	0.82	BACE1 (0.56)	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
US-20230165951-A1	Engineering, production and characterization of plant produced Nucleocapsid and Spike structural proteins of SARS CoV 2 as vaccine candidates against COVID19	MAMEDOV TARLAN (TR)	2023-06-01	—	—	US	disclosed