SCHEMBL30930555

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	10/20	0.49

▸	KDM1A	O60341	3/20	0.46

▸	MAPK8	P45983	1/20	0.46

▸	MAPK9	P45984	1/20	0.46

▸	MAPK10	P53779	1/20	0.46

▸	NMUR2	Q9GZQ4	2/20	0.44

▸	MAOB	P27338	1/20	0.43

▸	KDM5A	P29375	1/20	0.43

▸	KDM1B	Q8NB78	1/20	0.43

▸	NTSR1	P30989	1/20	0.41

▸	NMUR1	Q9HB89	1/20	0.41

▸	REN	P00797	1/20	0.41

▸	CAPN1	P07384	1/20	0.40

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
SCHEMBL30019633	0.86	KDM1A (0.45)	KDM1AMAPK8MAPK9MAPK10NMUR2
SCHEMBL30311189	0.85	KDM1A (0.52)	CXCL8KDM1AMAPK8MAPK9MAPK10
SCHEMBL30847742	0.83	KDM1A (0.54)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL4951156	0.82	KMT2A (0.44)	CXCL8NTSR1REN
SCHEMBL4951166	0.82	KMT2A (0.44)	CXCL8NTSR1REN
SCHEMBL30311322	0.82	KDM1A (0.52)	KDM1AMAPK8MAPK9MAPK10NMUR2
SCHEMBL30411503	0.82	KDM1A (0.46)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30420502	0.82	GRB2 (0.49)	CXCL8NMUR2NTSR1NMUR1
SCHEMBL30582212	0.81	MAPK8 (0.47)	MAPK8MAPK9MAPK10RENCAPN1
SCHEMBL29865847	0.80	GRB2 (0.48)	NMUR2NTSR1NMUR1CAPN1

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
CN-112029766-B	Application of double-stranded RNA	江苏仁明生物科技有限公司	2024-06-18	—	—	CN	disclosed