SCHEMBL31064871

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

nearest known ligand 0.48

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	4/20	0.48

▸	GRB2	P62993	1/20	0.48

▸	CTSB	P07858	1/20	0.44

▸	NTSR2	O95665	4/20	0.42

▸	NTSR1	P30989	4/20	0.42

▸	SLC6A2	P23975	1/20	0.42

▸	CALCRL	Q16602	1/20	0.41

▸	F2R	P25116	2/20	0.41

▸	NMUR2	Q9GZQ4	2/20	0.41

▸	NMUR1	Q9HB89	2/20	0.41

▸	REN	P00797	1/20	0.40

▸	SORT1	Q99523	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
SCHEMBL8054556	0.88	GRB2 (0.47)	CAPN1GRB2SLC6A2CALCRL
SCHEMBL8054560	0.88	GRB2 (0.47)	CAPN1GRB2SLC6A2CALCRL
SCHEMBL29573140	0.85	DPP4 (0.49)	CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL10336230	0.84	GRB2 (0.45)	CAPN1GRB2CTSBREN
SCHEMBL31344127	0.84	NMUR2 (0.47)	NMUR2NMUR1
SCHEMBL29471808	0.84	GRB2 (0.48)	CAPN1GRB2CTSBCALCRL
SCHEMBL31070369	0.83	CAPN1 (0.56)	CAPN1GRB2CTSBNTSR2NTSR1
SCHEMBL31070378	0.83	CAPN1 (0.56)	CAPN1GRB2CTSBNTSR2NTSR1
SCHEMBL30444071	0.83	BACE1 (0.45)	GRB2CALCRLREN
SCHEMBL29630482	0.82	OPRM1 (0.46)	CAPN1GRB2CTSBNTSR2NTSR1

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-118581102-A	Corn aspergillus flavus resistance gene ZmAFR, expression product, excellent haplotype and application thereof in corn breeding	河南农业大学	2024-09-03	—	—	CN	disclosed