SCHEMBL30099550

N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PTGS1	P23219	1/20	0.40

▸	GSTK1	Q9Y2Q3	1/20	0.40

▸	OPRM1	P35372	2/20	0.40

▸	OPRD1	P41143	2/20	0.40

▸	CA2	P00918	1/20	0.39

▸	CA4	P22748	1/20	0.39

▸	MME	P08473	2/20	0.39

▸	GNPAT	O15228	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
SCHEMBL31479814	0.97	PTGS1 (0.40)	PTGS1GSTK1OPRM1OPRD1CA2
SCHEMBL31544026	0.95	ECE1 (0.39)	PTGS1GSTK1OPRM1OPRD1
SCHEMBL31544019	0.95	ECE1 (0.39)	PTGS1GSTK1OPRM1OPRD1
SCHEMBL30177582	0.95	PTGS1 (0.40)	PTGS1GSTK1OPRM1OPRD1CA2
SCHEMBL30099492	0.95	PTGS1 (0.44)	PTGS1GSTK1CA2CA4GNPAT
SCHEMBL30099683	0.95	PTGS1 (0.44)	PTGS1GSTK1CA2CA4GNPAT
SCHEMBL30099564	0.95	PTGS1 (0.44)	PTGS1GSTK1CA2CA4GNPAT
SCHEMBL30099524	0.95	PTGS1 (0.44)	PTGS1GSTK1CA2CA4GNPAT
SCHEMBL31544052	0.93	ECE1 (0.39)	PTGS1GSTK1OPRM1OPRD1CA2
SCHEMBL31544036	0.93	ECE1 (0.39)	PTGS1GSTK1OPRM1OPRD1CA2

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 2 patents. 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	claimed
US-20250123280-A1	LABEL-FREE DETECTION OF PROTEASE ACTIVITY	UNIV OREGON HEALTH & SCIENCE (US)	2025-04-17	—	—	US	disclosed