SCHEMBL30429246

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

nearest known ligand 0.61

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.61

▸	IL23R	Q5VWK5	4/20	0.55

▸	KEAP1	Q14145	2/20	0.55

▸	NPY4R	P50391	4/20	0.54

▸	NPY1R	P25929	3/20	0.54

▸	NPY2R	P49146	3/20	0.54

▸	NPY5R	Q15761	3/20	0.54

▸	VIPR2	P41587	2/20	0.54

▸	ECE1	P42892	1/20	0.53

▸	GLP1R	P43220	1/20	0.53

▸	MUS81	Q96NY9	1/20	0.53

▸	VIPR1	P32241	2/20	0.52

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
SCHEMBL31664373	0.91	TFPI (0.68)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL31664359	0.91	TFPI (0.68)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29539873	0.90	NPY4R (0.62)	IL23RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29770069	0.89	TFPI (0.63)	TFPIIL23RKEAP1
SCHEMBL31664369	0.87	TFPI (0.64)	TFPIVIPR2ECE1GLP1RMUS81
SCHEMBL30906529	0.87	IL23R (0.55)	TFPIIL23R
SCHEMBL30648487	0.87	TFPI (0.61)	TFPINPY4RNPY1RNPY5RVIPR2
SCHEMBL31255288	0.87	TFPI (0.61)	TFPIVIPR2ECE1GLP1RMUS81
SCHEMBL30719899	0.87	TFPI (0.63)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30880890	0.87	NPY4R (0.54)	TFPIIL23RKEAP1NPY4RNPY1R

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