SCHEMBL30588131

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	11/20	0.59

▸	CTSD	P07339	1/20	0.55

▸	TFPI	P10646	1/20	0.54

▸	KEAP1	Q14145	1/20	0.52

▸	OPRL1	P41146	2/20	0.52

▸	BACE2	Q9Y5Z0	1/20	0.51

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
SCHEMBL29531145	0.90	OPRD1 (0.54)	TFPIOPRL1
SCHEMBL31031480	0.87	TFPI (0.55)	TFPIKEAP1OPRL1
SCHEMBL30839569	0.87	TFPI (0.56)	BACE1CTSDTFPIKEAP1BACE2
SCHEMBL31145953	0.86	TFPI (0.59)	TFPIKEAP1
SCHEMBL31064746	0.86	TFPI (0.60)	BACE1CTSDTFPIOPRL1
SCHEMBL30421823	0.86	TFPI (0.61)	BACE1CTSDTFPIBACE2
SCHEMBL30836857	0.86	BACE1 (0.55)	BACE1CTSD
SCHEMBL31031553	0.86	TFPI (0.63)	BACE1TFPIOPRL1BACE2
SCHEMBL31725269	0.85	TFPI (0.59)	BACE1CTSDTFPIBACE2
SCHEMBL30671760	0.85	BACE1 (0.56)	BACE1CTSDKEAP1BACE2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116655735-A	Agaricus bisporus umami peptide and prediction and screening method thereof	上海交通大学	2023-08-29	—	—	CN	claimed
CN-116655735-A	Agaricus bisporus umami peptide and prediction and screening method thereof	上海交通大学	2023-08-29	—	—	CN	disclosed