SCHEMBL31474507

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

nearest known ligand 0.52

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	PDCD1LG2	Q9BQ51	1/20	0.52

▸	CD274	Q9NZQ7	1/20	0.52

▸	BACE1	P56817	6/20	0.45

▸	CTSD	P07339	2/20	0.45

▸	ENPEP	Q07075	5/20	0.44

▸	TASP1	Q9H6P5	1/20	0.43

▸	KISS1R	Q969F8	2/20	0.42

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
SCHEMBL29723069	1.00	PDCD1LG2 (0.52)	PDCD1LG2CD274BACE1CTSDENPEP
SCHEMBL29723110	0.94	BACE1 (0.46)	PDCD1LG2CD274BACE1CTSDENPEP
SCHEMBL29722975	0.90	ENPEP (0.46)	BACE1CTSDENPEP
SCHEMBL29723225	0.90	PDCD1LG2 (0.63)	PDCD1LG2CD274BACE1CTSDENPEP
SCHEMBL31614420	0.87	BACE1 (0.46)	BACE1CTSDENPEPTASP1
SCHEMBL31064946	0.87	ENPEP (0.53)	PDCD1LG2CD274ENPEP
SCHEMBL30038778	0.86	GRB2 (0.48)	PDCD1LG2CD274BACE1CTSDENPEP
SCHEMBL30801496	0.86	ENPEP (0.50)	PDCD1LG2CD274ENPEP
SCHEMBL30350475	0.86	MME (0.48)	PDCD1LG2CD274BACE1CTSDENPEP
SCHEMBL29382890	0.85	PDCD1LG2 (0.61)	PDCD1LG2CD274BACE1CTSDKISS1R

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-119827684-A	Beijing white pear origin identification method based on metabonomics technology	北京市农林科学院	2025-04-15	—	—	CN	disclosed