SCHEMBL30576935

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.57

▸	BACE1	P56817	10/20	0.54

▸	VIPR1	P32241	1/20	0.54

▸	BACE2	Q9Y5Z0	2/20	0.53

▸	GRIN2D	O15399	1/20	0.53

▸	GRIN3B	O60391	1/20	0.53

▸	GRIN1	Q05586	1/20	0.53

▸	GRIN2A	Q12879	1/20	0.53

▸	GRIN2B	Q13224	1/20	0.53

▸	GRIN2C	Q14957	1/20	0.53

▸	GRIN3A	Q8TCU5	1/20	0.53

▸	GLP1R	P43220	2/20	0.52

▸	GCGR	P47871	1/20	0.52

▸	GIPR	P48546	1/20	0.52

▸	CTSD	P07339	1/20	0.52

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
SCHEMBL29397161	0.90	BACE1 (0.49)	BACE1BACE2CTSD
SCHEMBL30262125	0.89	TFPI (0.57)	TFPIBACE1BACE2GLP1R
SCHEMBL30512530	0.88	BACE1 (0.57)	BACE1CTSD
SCHEMBL31182757	0.87	VIPR1 (0.64)	TFPIBACE1VIPR1BACE2GLP1R
SCHEMBL30974316	0.87	VIPR1 (0.60)	BACE1VIPR1BACE2GLP1RCTSD
SCHEMBL29822430	0.87	BACE1 (0.56)	BACE1BACE2CTSD
SCHEMBL30712875	0.87	TFPI (0.62)	TFPIBACE1
SCHEMBL31182917	0.86	BACE1 (0.57)	TFPIBACE1VIPR1BACE2GLP1R
SCHEMBL30512850	0.86	BACE1 (0.67)	BACE1BACE2CTSD
SCHEMBL31738162	0.86	BACE1 (0.62)	TFPIBACE1VIPR1GRIN2DGRIN3B

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-116621961-A	Gene ZmAPC4 for regulating starch content in corn kernel, expression product, SNP marker, excellent haplotype and application	河南农业大学	2023-08-22	—	—	CN	disclosed