SCHEMBL24580479

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(=O)N(C)[C@@H](CC(=O)O)C(=O)N(C)C)C(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	5/20	0.45

▸	CTSL	P07711	1/20	0.38

▸	CTSB	P07858	1/20	0.38

▸	CTSS	P25774	1/20	0.38

▸	CTSK	P43235	1/20	0.38

▸	PIN1	Q13526	1/20	0.36

▸	PTPN1	P18031	3/20	0.36

▸	KMT2A	Q03164	1/20	0.35

▸	MDM2	Q00987	1/20	0.35

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
SCHEMBL30640767	0.97	CASP3 (0.47)	CASP3CTSLCTSBCTSSCTSK
SCHEMBL24580478	0.97	CASP3 (0.47)	CASP3CTSLCTSBCTSSCTSK
SCHEMBL26312140	0.97	CASP3 (0.47)	CASP3CTSLCTSBCTSSCTSK
SCHEMBL24579478	0.95	CASP3 (0.49)	CASP3CTSLCTSBCTSSCTSK
SCHEMBL24579358	0.92	CASP3 (0.51)	CASP3CTSLCTSBCTSSCTSK
SCHEMBL26312142	0.92	CASP3 (0.39)	CASP3CTSLCTSBCTSSCTSK
SCHEMBL29696609	0.91	CASP3 (0.46)	CASP3CTSLCTSBCTSSCTSK
SCHEMBL24579295	0.88	CASP3 (0.40)	CASP3CTSLCTSBCTSSCTSK
SCHEMBL24580499	0.87	CASP3 (0.42)	CASP3CTSLCTSBCTSSCTSK
SCHEMBL24579361	0.87	CASP3 (0.47)	CASP3CTSLCTSBCTSSPIN1

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-2022138891-A1	METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE	中外製薬株式会社	2022-06-30	—	—	WO	disclosed