SCHEMBL24579477

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

nearest known ligand 0.45

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	6/20	0.45

▸	KMT2A	Q03164	2/20	0.35

▸	MEN1	O00255	1/20	0.35

▸	PIN1	Q13526	1/20	0.35

▸	MDM4	O15151	1/20	0.35

▸	TP53	P04637	1/20	0.35

▸	CTSL	P07711	2/20	0.35

▸	CTSB	P07858	2/20	0.35

▸	CTSS	P25774	2/20	0.35

▸	CTSK	P43235	1/20	0.34

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
SCHEMBL24579474	0.97	CASP3 (0.47)	CASP3KMT2AMEN1PIN1MDM4
SCHEMBL29697659	0.97	CASP3 (0.47)	CASP3KMT2AMEN1PIN1MDM4
SCHEMBL29696743	0.91	CASP3 (0.47)	CASP3KMT2AMEN1PIN1MDM4
SCHEMBL24579478	0.88	CASP3 (0.49)	CASP3KMT2APIN1MDM4TP53
SCHEMBL24579361	0.88	CASP3 (0.47)	CASP3KMT2AMEN1PIN1CTSL
SCHEMBL30640773	0.86	CASP3 (0.49)	CASP3KMT2AMEN1PIN1CTSL
SCHEMBL24579357	0.86	CASP3 (0.49)	CASP3KMT2AMEN1PIN1CTSL
SCHEMBL24579475	0.85	CASP3 (0.34)	CASP3KMT2AMEN1CTSLCTSB
SCHEMBL24579358	0.85	CASP3 (0.51)	CASP3KMT2APIN1MDM4TP53
SCHEMBL24580479	0.84	CASP3 (0.45)	CASP3KMT2APIN1CTSLCTSB

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