SCHEMBL30495768

CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	KDM1A	O60341	3/20	0.57

▸	REN	P00797	10/20	0.54

▸	CALCRL	Q16602	3/20	0.53

▸	MAOB	P27338	1/20	0.52

▸	KDM5A	P29375	1/20	0.52

▸	KDM1B	Q8NB78	1/20	0.52

▸	CALCR	P30988	2/20	0.50

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
SCHEMBL30567723	0.91	KDM1A (0.58)	MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL30311232	0.90	KDM1A (0.59)	MAPK8MAPK9MAPK10KDM1AREN
Acetic Acid SCHEMBL30311408	0.89	KDM1A (0.58)	MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL30311249	0.88	KDM1A (0.59)	MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL29479825	0.87	MAPK8 (0.59)	MAPK8MAPK9MAPK10KDM1ACALCRL
SCHEMBL30431804	0.86	MAPK8 (0.66)	MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL30311096	0.86	REN (0.60)	MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL30311225	0.85	KDM1A (0.63)	KDM1ARENCALCRLMAOBKDM5A
SCHEMBL29466227	0.85	KDM1A (0.57)	MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL30973661	0.85	KDM1A (0.51)	MAPK8MAPK9MAPK10KDM1ACALCRL

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed