SCHEMBL5177734

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)CCC(=O)C=[N+]=[N-])C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	ENPEP	Q07075	7/20	0.32

▸	CASP1	P29466	1/20	0.32

▸	CASP3	P42574	1/20	0.32

▸	CASP4	P49662	1/20	0.32

▸	CASP5	P51878	1/20	0.32

▸	CASP9	P55211	1/20	0.32

▸	CASP6	P55212	1/20	0.32

▸	CASP8	Q14790	1/20	0.32

▸	CASP10	Q92851	1/20	0.32

▸	PSENEN	Q9NZ42	1/20	0.31

▸	CTSS	P25774	1/20	0.31

▸	CTSK	P43235	1/20	0.31

▸	MAGI3	Q5TCQ9	1/20	0.30

▸	CTSD	P07339	1/20	0.30

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
SCHEMBL5178062	0.93	PSENEN (0.37)	CASP1CASP3CASP4CASP5CASP9
SCHEMBL6269573	0.85	—	—
SCHEMBL5178281	0.74	CTSB (0.32)	CASP1CASP3CASP4CASP5CASP9
SCHEMBL30544517	0.73	PSENEN (0.47)	CASP1CASP3CASP4CASP5CASP9
SCHEMBL30544518	0.73	PSENEN (0.47)	CASP1CASP3CASP4CASP5CASP9
SCHEMBL29974881	0.71	DPP4 (0.50)	ENPEPMAGI3CTSD
SCHEMBL29974566	0.71	DPP4 (0.50)	ENPEPMAGI3CTSD
SCHEMBL7610438	0.69	CTSS (0.48)	CASP1CASP3CASP4CASP5CASP9
SCHEMBL7610443	0.69	CTSS (0.48)	CASP1CASP3CASP4CASP5CASP9
SCHEMBL11211657	0.67	KMT2A (0.40)	—

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
EP-1602719-B1	Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors	N ZYME BIOTEC GMBH (DE)	2007-06-06	—	—	EP	claimed