SCHEMBL24579475

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2C2C=CC=CC21)C(=O)NC(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 0.34

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	4/20	0.34

▸	MEN1	O00255	2/20	0.33

▸	KMT2A	Q03164	2/20	0.33

▸	CTSL	P07711	2/20	0.32

▸	CTSB	P07858	2/20	0.32

▸	CTSS	P25774	2/20	0.32

▸	CTSK	P43235	1/20	0.32

▸	LMNA	P02545	1/20	0.31

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
SCHEMBL24579477	0.85	CASP3 (0.45)	CASP3MEN1KMT2ACTSLCTSB
SCHEMBL29697659	0.82	CASP3 (0.47)	CASP3MEN1KMT2ACTSLCTSB
SCHEMBL24579474	0.82	CASP3 (0.47)	CASP3MEN1KMT2ACTSLCTSB
SCHEMBL29696743	0.76	CASP3 (0.47)	CASP3MEN1KMT2ACTSLCTSB
SCHEMBL24579478	0.73	CASP3 (0.49)	CASP3KMT2ACTSLCTSBCTSS
SCHEMBL24579361	0.73	CASP3 (0.47)	CASP3MEN1KMT2ACTSLCTSB
SCHEMBL30640773	0.71	CASP3 (0.49)	CASP3MEN1KMT2ACTSLCTSB
SCHEMBL24579357	0.71	CASP3 (0.49)	CASP3MEN1KMT2ACTSLCTSB
SCHEMBL14532698	0.71	CASP3 (0.39)	CASP3
SCHEMBL24580479	0.70	CASP3 (0.45)	CASP3KMT2ACTSLCTSBCTSS

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