SCHEMBL30062944

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	3/20	0.47

▸	KEAP1	Q14145	1/20	0.46

▸	EP300	Q09472	1/20	0.45

▸	HIF1A	Q16665	1/20	0.45

▸	CALCRL	Q16602	2/20	0.45

▸	NPY2R	P49146	7/20	0.44

▸	NPY4R	P50391	7/20	0.44

▸	NPY5R	Q15761	7/20	0.44

▸	NPY1R	P25929	5/20	0.44

▸	CXCR4	P61073	1/20	0.43

▸	RAMP3	O60896	3/20	0.43

▸	CALCR	P30988	3/20	0.43

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
SCHEMBL30063804	0.89	EPHA2 (0.58)	EPHA2KEAP1EP300HIF1ANPY2R
SCHEMBL30064478	0.88	C5AR1 (0.54)	EPHA2KEAP1CXCR4RAMP3CALCR
SCHEMBL30900803	0.87	NPY2R (0.52)	EPHA2EP300HIF1ACALCRLNPY2R
SCHEMBL30571149	0.86	EP300 (0.57)	KEAP1EP300HIF1ANPY2RNPY4R
SCHEMBL30063864	0.84	NPY2R (0.49)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31211774	0.84	NPY2R (0.57)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL29743132	0.84	EPHA2 (0.50)	EPHA2CALCRLNPY2RNPY4RNPY5R
SCHEMBL31037026	0.84	CXCR4 (0.47)	EPHA2KEAP1CXCR4RAMP3CALCR
SCHEMBL30455187	0.84	RAMP3 (0.50)	EPHA2CXCR4RAMP3CALCR
SCHEMBL29743135	0.84	EPHA2 (0.46)	EPHA2NPY2RNPY4RNPY5RNPY1R

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
EP-3197912-B1	LIPIDATED AMIDE-BASED INSULIN PRODRUGS	UNIV INDIANA RES & TECH CORP (US)	2023-01-04	—	—	EP	disclosed