SCHEMBL30586709

CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ERAP2	Q6P179	4/20	0.63

▸	MMP1	P03956	1/20	0.56

▸	KISS1R	Q969F8	15/20	0.56

▸	IL1RN	P18510	3/20	0.54

▸	ERAP1	Q9NZ08	2/20	0.54

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
SCHEMBL31267924	0.98	ERAP2 (0.65)	ERAP2MMP1KISS1RIL1RNERAP1
SCHEMBL31232571	0.95	KISS1R (0.59)	ERAP2KISS1RIL1RNERAP1
SCHEMBL30544320	0.94	ERAP2 (0.61)	ERAP2MMP1KISS1RIL1RNERAP1
SCHEMBL30676224	0.93	ERAP2 (0.59)	ERAP2MMP1KISS1R
SCHEMBL31267917	0.93	ERAP2 (0.57)	ERAP2MMP1KISS1RIL1RNERAP1
SCHEMBL29486225	0.93	GHSR (0.57)	ERAP2KISS1R
SCHEMBL31607064	0.93	ERAP2 (0.52)	ERAP2MMP1KISS1R
SCHEMBL30947673	0.92	ERAP2 (0.57)	ERAP2MMP1KISS1R
SCHEMBL31146271	0.92	ERAP2 (0.57)	ERAP2MMP1KISS1R
SCHEMBL30739993	0.92	ERAP2 (0.57)	ERAP2MMP1KISS1R

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-116705141-B	Method for screening Alzheimer disease prevention peptide from walnut enzymolysis product based on CNN-LSTM neural network	西北大学	2024-01-09	—	—	CN	disclosed
CN-116705141-A	Method for screening Alzheimer disease prevention peptide from walnut enzymolysis product based on CNN-LSTM neural network	西北大学	2023-09-05	—	—	CN	disclosed