SCHEMBL30429902

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.68

▸	GLP1R	P43220	6/20	0.59

▸	BACE1	P56817	2/20	0.57

▸	BACE2	Q9Y5Z0	2/20	0.57

▸	VIPR1	P32241	1/20	0.56

▸	NR3C1	P04150	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
SCHEMBL30271990	0.94	TFPI (0.67)	TFPIGLP1RBACE1BACE2VIPR1
SCHEMBL30432039	0.94	TFPI (0.67)	TFPIGLP1RBACE1BACE2VIPR1
SCHEMBL30120636	0.93	TFPI (0.66)	TFPIGLP1RBACE1BACE2VIPR1
SCHEMBL30271991	0.93	TFPI (0.66)	TFPIGLP1RVIPR1NR3C1
SCHEMBL29376362	0.92	TFPI (0.66)	TFPIGLP1RBACE1BACE2VIPR1
SCHEMBL29373682	0.92	TFPI (0.68)	TFPIGLP1RBACE1BACE2VIPR1
SCHEMBL30836920	0.92	TFPI (0.66)	TFPIGLP1RVIPR1NR3C1
SCHEMBL30721553	0.92	TFPI (0.66)	TFPIGLP1RBACE1BACE2VIPR1
SCHEMBL29373287	0.92	TFPI (0.66)	TFPIGLP1RBACE1BACE2VIPR1
SCHEMBL30861920	0.91	TFPI (0.65)	TFPIGLP1RBACE1BACE2VIPR1

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