SCHEMBL29937042

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	8/20	0.49

▸	TLR2	O60603	2/20	0.47

▸	MDM2	Q00987	5/20	0.46

▸	GRB2	P62993	1/20	0.45

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
SCHEMBL29937088	1.00	PTPN1 (0.49)	PTPN1TLR2MDM2GRB2
SCHEMBL29937048	0.99	PTPN1 (0.48)	PTPN1TLR2MDM2GRB2
SCHEMBL29936662	0.99	PTPN1 (0.48)	PTPN1TLR2MDM2GRB2
SCHEMBL29936841	0.99	PTPN1 (0.48)	PTPN1TLR2MDM2GRB2
SCHEMBL29937186	0.99	PTPN1 (0.48)	PTPN1TLR2MDM2GRB2
SCHEMBL29936847	0.96	PTPN1 (0.46)	PTPN1TLR2MDM2GRB2
SCHEMBL29937007	0.96	PTPN1 (0.46)	PTPN1TLR2MDM2GRB2
SCHEMBL29936718	0.96	PTPN1 (0.46)	PTPN1TLR2MDM2GRB2
SCHEMBL29936693	0.96	PTPN1 (0.46)	PTPN1TLR2MDM2GRB2
SCHEMBL31107171	0.94	TLR2 (0.48)	PTPN1TLR2MDM2

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-115093458-A	Acid-activated cell-penetrating polypeptide carrier and application thereof	倪京满	2022-09-23	—	—	CN	disclosed