SCHEMBL30483317

CCCCOC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	5/20	0.42

▸	FURIN	P09958	2/20	0.39

▸	SSTR3	P32745	1/20	0.38

▸	SIRT2	Q8IXJ6	7/20	0.38

▸	SIRT1	Q96EB6	6/20	0.38

▸	SIRT3	Q9NTG7	3/20	0.38

▸	MAP1LC3B	Q9GZQ8	1/20	0.37

▸	TLR2	O60603	2/20	0.37

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
SCHEMBL30361583	0.93	PTPN1 (0.43)	PTPN1FURINSSTR3SIRT2SIRT1
SCHEMBL22442662	0.93	PTPN1 (0.43)	PTPN1FURINSSTR3SIRT2SIRT1
SCHEMBL22442664	0.93	PTPN1 (0.43)	PTPN1FURINSSTR3SIRT2SIRT1
SCHEMBL30288542	0.93	PTPN1 (0.42)	PTPN1FURINSSTR3MAP1LC3B
SCHEMBL12094377	0.92	HTR2A (0.40)	PTPN1FURINSSTR3SIRT2SIRT1
SCHEMBL13830646	0.92	HTR2A (0.40)	PTPN1FURINSSTR3SIRT2SIRT1
SCHEMBL12944195	0.92	HTR2A (0.40)	PTPN1FURINSSTR3SIRT2SIRT1
SCHEMBL2734925	0.92	HTR2A (0.40)	PTPN1FURINSSTR3SIRT2SIRT1
SCHEMBL19731720	0.92	HTR2A (0.40)	PTPN1FURINSSTR3SIRT2SIRT1
SCHEMBL29579452	0.92	HTR2A (0.40)	PTPN1FURINSSTR3SIRT2SIRT1

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-2023129518-A1	TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES	REGENERON PHARMACEUTICALS, INC. (US)	2023-07-06	—	—	WO	disclosed