SCHEMBL18792771

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

nearest known ligand 0.39

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	HTR2A	P28223	1/20	0.39

▸	FURIN	P09958	6/20	0.38

▸	TGM2	P21980	1/20	0.36

▸	MAP1LC3B	Q9GZQ8	2/20	0.35

▸	SSTR3	P32745	1/20	0.35

▸	PDF	Q9HBH1	1/20	0.34

▸	SIRT2	Q8IXJ6	5/20	0.34

▸	SIRT1	Q96EB6	3/20	0.34

▸	SIRT3	Q9NTG7	3/20	0.34

▸	CTSB	P07858	1/20	0.33

▸	CTSK	P43235	1/20	0.33

▸	SIRT5	Q9NXA8	1/20	0.33

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
SCHEMBL15223879	1.00	HTR2A (0.39)	HTR2AFURINTGM2MAP1LC3BSSTR3
SCHEMBL19731615	0.93	FURIN (0.39)	HTR2AFURINTGM2MAP1LC3BSSTR3
SCHEMBL22691442	0.93	FURIN (0.39)	HTR2AFURINTGM2MAP1LC3BSSTR3
SCHEMBL23498013	0.93	HTR2A (0.39)	HTR2AFURINTGM2MAP1LC3BSSTR3
SCHEMBL17490581	0.93	HTR2A (0.39)	HTR2AFURINTGM2MAP1LC3BSSTR3
SCHEMBL23498015	0.93	HTR2A (0.39)	HTR2AFURINTGM2MAP1LC3BSSTR3
SCHEMBL25976125	0.93	HTR2A (0.39)	HTR2AFURINTGM2MAP1LC3BSSTR3
SCHEMBL26015668	0.88	HTR2A (0.40)	HTR2AFURINMAP1LC3BSSTR3PDF
SCHEMBL17312903	0.88	HTR2A (0.40)	HTR2AFURINMAP1LC3BSSTR3PDF
SCHEMBL29649550	0.87	PDF (0.38)	FURINSSTR3PDF

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
US-9629924-B2	Conjugates of CC-1065 analogs and bifunctional linkers	SYNTARGA BV (NL)	2017-04-25	—	—	US	disclosed