SCHEMBL30544518

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

nearest known ligand 0.47

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	PSENEN	Q9NZ42	1/20	0.47

▸	CTSD	P07339	4/20	0.46

▸	REN	P00797	3/20	0.46

▸	CASP1	P29466	2/20	0.43

▸	CASP3	P42574	2/20	0.43

▸	CASP4	P49662	2/20	0.43

▸	CASP5	P51878	2/20	0.43

▸	CASP9	P55211	2/20	0.43

▸	CASP6	P55212	2/20	0.43

▸	CASP8	Q14790	2/20	0.43

▸	CASP10	Q92851	2/20	0.43

▸	CTSK	P43235	4/20	0.41

▸	CTSB	P07858	3/20	0.41

▸	CTSS	P25774	1/20	0.38

▸	CASP7	P55210	1/20	0.36

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
SCHEMBL30544517	1.00	PSENEN (0.47)	PSENENCTSDRENCASP1CASP3
SCHEMBL7613501	0.90	PSENEN (0.55)	PSENENCTSDRENCASP1CASP3
SCHEMBL7613504	0.90	PSENEN (0.55)	PSENENCTSDRENCASP1CASP3
SCHEMBL5176929	0.87	CTSD (0.53)	PSENENCTSDRENCASP1CASP3
SCHEMBL22989798	0.82	CTSD (0.44)	PSENENCTSDRENCTSKCTSS
SCHEMBL7610438	0.82	CTSS (0.48)	PSENENCTSDRENCASP1CASP3
SCHEMBL7610443	0.82	CTSS (0.48)	PSENENCTSDRENCASP1CASP3
SCHEMBL5178062	0.80	PSENEN (0.37)	PSENENCTSDRENCASP1CASP3
SCHEMBL9754306	0.76	PSENEN (0.71)	PSENENCTSDRENCTSKCTSS
SCHEMBL10144106	0.73	PSENEN (0.45)	PSENENCTSDRENCTSKCTSS

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-3833354-B1	TISSUE TRANSGLUTAMINASE MODULATORS FOR MEDICINAL USE	UNIV AARHUS (DK)	2023-10-04	—	—	EP	disclosed