SCHEMBL29865847

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	GRB2	P62993	1/20	0.48

▸	CAPN1	P07384	6/20	0.47

▸	CTSD	P07339	2/20	0.47

▸	BACE1	P56817	2/20	0.47

▸	NMUR2	Q9GZQ4	3/20	0.46

▸	NTSR2	O95665	4/20	0.46

▸	NTSR1	P30989	4/20	0.46

▸	NMUR1	Q9HB89	2/20	0.45

▸	CTSB	P07858	1/20	0.45

▸	STAT3	P40763	1/20	0.44

▸	F2R	P25116	2/20	0.43

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
SCHEMBL29838219	0.89	GRB2 (0.46)	GRB2
SCHEMBL30444754	0.88	GRB2 (0.44)	GRB2CAPN1CTSDBACE1NMUR2
SCHEMBL30072960	0.86	CAPN1 (0.48)	GRB2CAPN1NTSR2NTSR1CTSB
SCHEMBL30436704	0.86	NMUR2 (0.49)	GRB2CAPN1CTSDBACE1NMUR2
SCHEMBL29591680	0.86	GRB2 (0.47)	GRB2
SCHEMBL31151696	0.85	F2 (0.46)	NMUR2NTSR2NTSR1NMUR1
SCHEMBL29641790	0.85	GRB2 (0.49)	GRB2CAPN1CTSDBACE1
SCHEMBL29641650	0.85	GRB2 (0.49)	GRB2CAPN1CTSDBACE1
SCHEMBL29983307	0.85	ACE (0.44)	GRB2CAPN1NMUR2NTSR2NTSR1
SCHEMBL30436159	0.84	NMUR2 (0.50)	GRB2CAPN1CTSDBACE1NMUR2

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-112094881-B	Preparation method and application of stable calcium ion chelating peptide	江南大学	2022-08-09	—	—	CN	disclosed