SCHEMBL24580499

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](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)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	6/20	0.42

▸	PIN1	Q13526	1/20	0.36

▸	CTSL	P07711	1/20	0.35

▸	CTSB	P07858	1/20	0.35

▸	CTSS	P25774	1/20	0.35

▸	CTSK	P43235	1/20	0.35

▸	KMT2A	Q03164	1/20	0.33

▸	MDM2	Q00987	1/20	0.33

▸	TLR2	O60603	1/20	0.32

▸	MDM4	O15151	1/20	0.32

▸	TP53	P04637	1/20	0.32

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
SCHEMBL24580501	0.97	CASP3 (0.45)	CASP3PIN1CTSLCTSBCTSS
SCHEMBL29697691	0.97	CASP3 (0.45)	CASP3PIN1CTSLCTSBCTSS
SCHEMBL24580502	0.97	CASP3 (0.45)	CASP3PIN1CTSLCTSBCTSS
SCHEMBL26312135	0.94	CASP3 (0.38)	CASP3PIN1CTSLCTSBCTSS
SCHEMBL29696617	0.92	CASP3 (0.43)	CASP3PIN1CTSLCTSBCTSS
SCHEMBL24579478	0.92	CASP3 (0.49)	CASP3PIN1CTSLCTSBCTSS
SCHEMBL29696646	0.91	CASP3 (0.43)	CASP3PIN1CTSLCTSBCTSS
SCHEMBL24579936	0.90	CASP3 (0.38)	CASP3PIN1CTSLCTSBCTSS
SCHEMBL24579989	0.90	CASP3 (0.38)	CASP3PIN1CTSLCTSBCTSS
SCHEMBL24579358	0.89	CASP3 (0.51)	CASP3PIN1CTSLCTSBCTSS

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