SCHEMBL30449474

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.53

▸	MAPK9	P45984	1/20	0.53

▸	MAPK10	P53779	1/20	0.53

▸	KDM1A	O60341	3/20	0.51

▸	KEAP1	Q14145	2/20	0.51

▸	PTH1R	Q03431	9/20	0.48

▸	VIPR1	P32241	2/20	0.48

▸	VIPR2	P41587	1/20	0.48

▸	MAOB	P27338	1/20	0.47

▸	KDM5A	P29375	1/20	0.47

▸	KDM1B	Q8NB78	1/20	0.47

▸	CALCR	P30988	1/20	0.46

▸	NPY1R	P25929	1/20	0.46

▸	NPY2R	P49146	1/20	0.46

▸	NPY4R	P50391	1/20	0.46

▸	NPY5R	Q15761	1/20	0.46

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
SCHEMBL30450278	0.98	MAPK8 (0.56)	MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30450032	0.98	MAPK8 (0.56)	MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30449633	0.98	MAPK8 (0.56)	MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30449969	0.97	MAPK8 (0.55)	MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30449631	0.97	MAPK8 (0.55)	MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30449481	0.96	MAPK8 (0.57)	MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30712774	0.96	MAPK8 (0.56)	MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30449697	0.95	MAPK8 (0.58)	MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30712773	0.94	MAPK8 (0.59)	MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30450123	0.94	MAPK8 (0.58)	MAPK8MAPK9MAPK10KDM1AKEAP1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116987180-A	Methods and compositions for cancer diagnosis and treatment	生物技术欧洲股份公司	2023-11-03	—	—	CN	claimed
US-11673939-B2	Compositions and methods for diagnosis and treatment of cancer	BioNTech SE	2023-06-13	—	—	US	claimed
US-11673939-B2	Compositions and methods for diagnosis and treatment of cancer	BioNTech SE	2023-06-13	—	—	US	disclosed