SCHEMBL21233587

NCCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCOOCCC(=O)NCCCOCCOCCOCNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN

nearest known ligand 0.43

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NMT1	P30419	6/20	0.43

▸	NMT2	O60551	5/20	0.43

▸	CD40	P25942	1/20	0.42

▸	GNAI3	P08754	1/20	0.41

▸	GNAO1	P09471	1/20	0.41

▸	GNAI1	P63096	1/20	0.41

▸	SIRT6	Q8N6T7	1/20	0.41

▸	SIRT1	Q96EB6	1/20	0.41

▸	GLP1R	P43220	8/20	0.39

▸	TLR2	O60603	1/20	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
SCHEMBL20706554	0.93	NMT1 (0.48)	NMT1NMT2CD40GNAI3GNAO1
SCHEMBL20272636	0.92	NMT1 (0.46)	NMT1NMT2CD40GNAI3GNAO1
SCHEMBL14576026	0.92	NMT1 (0.46)	NMT1NMT2CD40GNAI3GNAO1
SCHEMBL18359086	0.91	GNAI3 (0.47)	NMT1NMT2CD40GNAI3GNAO1
SCHEMBL14707968	0.87	NMT1 (0.47)	NMT1NMT2CD40GNAI3GNAO1
SCHEMBL14642615	0.87	GNAI3 (0.44)	NMT1NMT2CD40GNAI3GNAO1
SCHEMBL14642614	0.87	GNAI3 (0.49)	NMT1NMT2GNAI3GNAO1GNAI1
SCHEMBL15084741	0.86	NMT1 (0.42)	NMT1NMT2CD40GNAI3GNAO1
SCHEMBL20706553	0.84	GNAI3 (0.57)	CD40GNAI3GNAO1GNAI1TLR2
SCHEMBL20272608	0.84	GNAI3 (0.57)	CD40GNAI3GNAO1GNAI1TLR2

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
EP-2998289-B1	COMPOUNDS FOR TARGETING DRUG DELIVERY AND ENHANCING SIRNA ACTIVITY	NITTO DENKO CORP (JP)	2019-08-07	—	—	EP	disclosed