SCHEMBL31415943

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

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	11/20	0.54

▸	CTSD	P07339	2/20	0.49

▸	CASP1	P29466	1/20	0.47

▸	CASP3	P42574	1/20	0.47

▸	CASP4	P49662	1/20	0.47

▸	CASP5	P51878	1/20	0.47

▸	CASP9	P55211	1/20	0.47

▸	CASP6	P55212	1/20	0.47

▸	CASP8	Q14790	1/20	0.47

▸	CASP10	Q92851	1/20	0.47

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
SCHEMBL30168728	0.89	TFPI (0.58)	—
SCHEMBL31307279	0.88	BACE1 (0.52)	BACE1
SCHEMBL31410837	0.86	OPRD1 (0.51)	—
SCHEMBL29836289	0.85	TFPI (0.58)	—
SCHEMBL29689231	0.85	BACE1 (0.55)	BACE1CTSD
SCHEMBL30242956	0.85	BACE1 (0.60)	BACE1CTSD
SCHEMBL30262067	0.85	BACE1 (0.52)	BACE1CTSDCASP1CASP3CASP4
SCHEMBL30825056	0.84	OPRL1 (0.54)	—
SCHEMBL31488107	0.84	CTSD (0.53)	CTSD
SCHEMBL31439139	0.83	LNPEP (0.59)	BACE1CTSD

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
WO-2025002590-A1	TISSUE MHC CLASS I IMMUNOPEPTIDE PATTERN DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST NON-SMALL CELL LUNG CANCER (NSCLC), IDENTIFICATION AND ISOLATION OF NSCLC SPECIFIC T CELLS IN HUMANS	UNIWERSYTET GDÁNSKI (PL)	2025-01-02	—	—	WO	claimed