SCHEMBL20439451

CC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	SIRT6	Q8N6T7	1/20	0.46

▸	SIRT1	Q96EB6	1/20	0.46

▸	NMT2	O60551	2/20	0.45

▸	NMT1	P30419	2/20	0.45

▸	TFPI	P10646	1/20	0.44

▸	SIRT5	Q9NXA8	2/20	0.43

▸	SIRT2	Q8IXJ6	1/20	0.43

▸	FURIN	P09958	7/20	0.42

▸	TLR2	O60603	1/20	0.42

▸	PCSK6	P29122	1/20	0.41

▸	IL23R	Q5VWK5	2/20	0.40

▸	PRSS1	P07477	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
SCHEMBL16189768	0.99	NMT2 (0.46)	SIRT6SIRT1NMT2NMT1TFPI
SCHEMBL20439409	0.98	NMT1 (0.48)	SIRT6SIRT1NMT2NMT1TFPI
SCHEMBL23879904	0.96	SIRT5 (0.45)	SIRT6SIRT1NMT2NMT1TFPI
SCHEMBL20439405	0.94	SIRT5 (0.43)	NMT2NMT1TFPISIRT5SIRT2
SCHEMBL16189773	0.94	SIRT5 (0.43)	NMT2NMT1TFPISIRT5SIRT2
SCHEMBL20439438	0.92	TLR2 (0.48)	SIRT6SIRT1NMT2NMT1TFPI
SCHEMBL16189767	0.92	TLR2 (0.48)	SIRT6SIRT1NMT2NMT1TFPI
SCHEMBL20439410	0.91	TLR2 (0.49)	SIRT6SIRT1NMT2NMT1TFPI
SCHEMBL31467781	0.89	SIRT2 (0.48)	SIRT6SIRT1NMT2NMT1SIRT5
SCHEMBL20439464	0.89	SIRT5 (0.51)	SIRT6SIRT1NMT2NMT1TFPI

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-2018140563-A1	USE OF APOE MIMETIC PEPTIDES FOR REDUCING THE LIKELIHOOD OF EPILEPTOGENESIS	DUKE UNIVERSITY (US)	2018-08-02	—	—	WO	disclosed