SCHEMBL31472832

CC(C)C[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	8/20	0.44

▸	MDM2	Q00987	2/20	0.42

▸	GRB2	P62993	1/20	0.40

▸	MDM4	O15151	1/20	0.40

▸	TP53	P04637	1/20	0.40

▸	NMBR	P28336	1/20	0.39

▸	TLR2	O60603	1/20	0.39

▸	TLR1	Q15399	1/20	0.39

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
SCHEMBL30134452	0.92	PTPN1 (0.44)	PTPN1MDM2GRB2MDM4TP53
SCHEMBL29702381	0.91	MDM2 (0.49)	MDM2MDM4TP53NMBRTLR2
SCHEMBL31472817	0.90	PTPN1 (0.39)	PTPN1MDM2GRB2MDM4TP53
SCHEMBL31472825	0.90	PTPN1 (0.39)	PTPN1MDM2GRB2MDM4TP53
SCHEMBL31472821	0.89	PTPN1 (0.39)	PTPN1MDM2GRB2MDM4TP53
Hydrochloric Acid SCHEMBL31450109	0.88	MDM2 (0.44)	MDM2MDM4TP53NMBRTLR2
SCHEMBL29670271	0.84	MDM4 (0.49)	PTPN1MDM2MDM4TP53NMBR
SCHEMBL31450152	0.83	TLR2 (0.42)	MDM2MDM4TP53TLR2TLR1
SCHEMBL30545031	0.82	MDM2 (0.52)	PTPN1MDM2MDM4TP53TLR2
SCHEMBL30426181	0.82	MDM2 (0.52)	PTPN1MDM2GRB2TLR2TLR1

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
CN-119775362-A	High-efficiency low-toxicity anticancer short peptide using caproic acid lysine as modification unit and application thereof	兰州大学	2025-04-08	—	—	CN	disclosed