SCHEMBL30712788

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	EP300	Q09472	1/20	0.56

▸	HIF1A	Q16665	1/20	0.56

▸	MAPK8	P45983	1/20	0.55

▸	MAPK9	P45984	1/20	0.55

▸	MAPK10	P53779	1/20	0.55

▸	NMUR2	Q9GZQ4	4/20	0.54

▸	NMUR1	Q9HB89	4/20	0.54

▸	NPY2R	P49146	7/20	0.54

▸	NPY4R	P50391	7/20	0.54

▸	NPY5R	Q15761	7/20	0.54

▸	NPY1R	P25929	5/20	0.54

▸	EPHA2	P29317	2/20	0.53

▸	NTSR1	P30989	2/20	0.52

▸	NTSR2	O95665	1/20	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
SCHEMBL32676360	0.93	EP300 (0.59)	EP300HIF1AMAPK8MAPK9MAPK10
SCHEMBL30712780	0.93	NPY2R (0.58)	EP300HIF1AMAPK8MAPK9MAPK10
SCHEMBL30963695	0.92	MAPK8 (0.58)	EP300HIF1AMAPK8MAPK9MAPK10
SCHEMBL30887065	0.89	CXCR4 (0.52)	EP300HIF1AMAPK8MAPK9MAPK10
SCHEMBL30618029	0.89	CALCR (0.66)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30525422	0.89	EPHA2 (0.57)	EP300HIF1ANMUR2NMUR1NPY2R
SCHEMBL30618027	0.89	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL30887078	0.87	MAPK8 (0.51)	EP300HIF1AMAPK8MAPK9MAPK10
SCHEMBL8780541	0.87	OPRD1 (0.58)	EP300HIF1ANMUR2NMUR1NPY2R
SCHEMBL30485544	0.86	NMUR2 (0.59)	EP300HIF1AMAPK8MAPK9MAPK10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-12516104-B2	Compositions and methods for diagnosis and treatment of cancer	BioNTech SE (DE)	2026-01-06	—	—	US	disclosed
US-20240002471-A1	Compositions and Methods for Diagnosis and Treatment of Cancer	BioNTech SE (DE)	2024-01-04	—	—	US	disclosed