SCHEMBL30099702

NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	FOLH1	Q04609	4/20	0.62

▸	NMT1	P30419	5/20	0.47

▸	NMT2	O60551	4/20	0.47

▸	TLR2	O60603	1/20	0.45

▸	GSR	P00390	1/20	0.44

▸	RIMKLA	Q8IXN7	1/20	0.43

▸	NAALAD2	Q9Y3Q0	1/20	0.43

▸	NOD1	Q9Y239	1/20	0.42

▸	GNPAT	O15228	1/20	0.40

▸	DPP8	Q6V1X1	1/20	0.40

▸	DPP9	Q86TI2	1/20	0.40

▸	DPP7	Q9UHL4	1/20	0.40

▸	CPB2	Q96IY4	2/20	0.40

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
SCHEMBL30099451	0.97	FOLH1 (0.62)	FOLH1NMT1NMT2TLR2GSR
SCHEMBL1373284	0.97	FOLH1 (0.61)	FOLH1NMT1NMT2TLR2GSR
SCHEMBL31480020	0.95	FOLH1 (0.62)	FOLH1NMT1NMT2TLR2GSR
SCHEMBL30099628	0.95	FOLH1 (0.62)	FOLH1NMT1NMT2TLR2GSR
SCHEMBL30099538	0.95	FOLH1 (0.62)	FOLH1NMT1NMT2TLR2GSR
SCHEMBL31154656	0.95	FOLH1 (0.57)	FOLH1NMT1NMT2TLR2GSR
SCHEMBL29886785	0.95	FOLH1 (0.61)	FOLH1NMT1NMT2TLR2GSR
SCHEMBL7166207	0.95	FOLH1 (0.68)	FOLH1GSRRIMKLANAALAD2NOD1
SCHEMBL31635790	0.95	FOLH1 (0.68)	FOLH1GSRRIMKLANAALAD2NOD1
SCHEMBL31635787	0.95	FOLH1 (0.68)	FOLH1GSRRIMKLANAALAD2NOD1

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-2023003984-A2	LABEL-FREE DETECTION OF PROTEASE ACTIVITY	OREGON HEALTH & SCIENCE UNIVERSITY (US)	2023-01-26	—	—	WO	disclosed