SCHEMBL30437795

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

nearest known ligand 0.59

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	2/20	0.55

▸	OPRD1	P41143	2/20	0.55

▸	BACE1	P56817	6/20	0.54

▸	OPRK1	P41145	1/20	0.54

▸	TFPI	P10646	1/20	0.53

▸	CTSD	P07339	1/20	0.52

▸	CTSB	P07858	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
SCHEMBL29461368	0.87	BACE1 (0.60)	BACE1TFPI
Gvnacsslf SCHEMBL29876091	0.87	BACE1 (0.55)	BACE1CTSD
SCHEMBL29904037	0.86	OPRD1 (0.56)	OPRM1OPRD1OPRK1CTSB
SCHEMBL30292595	0.86	CTSB (0.56)	BACE1CTSDCTSB
SCHEMBL30617075	0.85	CTSB (0.59)	OPRM1OPRD1BACE1OPRK1CTSB
SCHEMBL30262125	0.85	TFPI (0.57)	OPRM1OPRD1BACE1OPRK1TFPI
SCHEMBL30431667	0.85	TFPI (0.59)	BACE1TFPI
SCHEMBL31182448	0.85	TFPI (0.60)	OPRM1OPRD1BACE1OPRK1TFPI
SCHEMBL8973360	0.84	TFPI (0.64)	OPRM1OPRD1BACE1OPRK1TFPI
SCHEMBL8973366	0.84	TFPI (0.64)	OPRM1OPRD1BACE1OPRK1TFPI

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-116103323-B	Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof	安徽中医药大学	2024-10-22	—	—	CN	disclosed
CN-116103323-A	Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof	安徽中医药大学	2023-05-12	—	—	CN	disclosed