SCHEMBL30420753

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

nearest known ligand 0.47

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GRB2	P62993	1/20	0.47

▸	CXCL8	P10145	10/20	0.45

▸	CAPN1	P07384	2/20	0.44

▸	NTSR1	P30989	2/20	0.44

▸	NAA50	Q9GZZ1	1/20	0.43

▸	APLNR	P35414	1/20	0.42

▸	KEAP1	Q14145	1/20	0.41

▸	RAMP3	O60896	1/20	0.41

▸	CALCR	P30988	1/20	0.41

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
SCHEMBL30420502	0.94	GRB2 (0.49)	GRB2CXCL8NTSR1NAA50
SCHEMBL30419987	0.93	GRB2 (0.47)	GRB2CXCL8NTSR1NAA50APLNR
SCHEMBL30420836	0.92	NAA50 (0.50)	GRB2NTSR1NAA50KEAP1RAMP3
SCHEMBL31232442	0.90	GRB2 (0.51)	GRB2NTSR1NAA50APLNR
SCHEMBL30419465	0.87	NAA50 (0.53)	GRB2CXCL8NAA50RAMP3CALCR
SCHEMBL30987363	0.86	NMUR2 (0.41)	GRB2CXCL8CAPN1NTSR1
SCHEMBL30420364	0.86	NAA50 (0.49)	GRB2NAA50APLNRKEAP1RAMP3
SCHEMBL30853505	0.86	GRB2 (0.55)	GRB2CAPN1NTSR1
SCHEMBL29462926	0.85	GRB2 (0.54)	GRB2NTSR1NAA50APLNR
SCHEMBL31182748	0.85	KDM1A (0.49)	GRB2CAPN1NTSR1

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-116350760-A	Application of CTL epitope peptide derived from new antigen ESR1 or encoding nucleic acid thereof in preparation of medicines	郑州大学	2023-06-30	—	—	CN	disclosed