SCHEMBL3203608

C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H]([C]=O)CCC(N)=O)[C@@H](C)O

nearest known ligand 0.46

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	7/20	0.39

▸	CTSD	P07339	3/20	0.39

▸	FURIN	P09958	2/20	0.39

▸	OPRL1	P41146	1/20	0.36

▸	IL23R	Q5VWK5	1/20	0.35

▸	ERBB2	P04626	1/20	0.35

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
SCHEMBL3209141	0.89	FURIN (0.38)	FURINIL23R
SCHEMBL6117674	0.89	FURIN (0.40)	BACE1CTSDFURINOPRL1
SCHEMBL2467105	0.89	FURIN (0.40)	BACE1CTSDFURINOPRL1
SCHEMBL30361652	0.87	BACE1 (0.45)	BACE1CTSDFURINOPRL1
SCHEMBL676551	0.87	BACE1 (0.45)	BACE1CTSDFURIN
SCHEMBL3215006	0.82	MAPK8 (0.38)	IL23R
SCHEMBL32690445	0.80	BACE1 (0.46)	BACE1CTSD
SCHEMBL23091457	0.80	BACE1 (0.44)	BACE1FURIN
SCHEMBL23091458	0.80	BACE1 (0.44)	BACE1FURIN
SCHEMBL30681588	0.79	VIPR2 (0.49)	IL23R

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-20100047762-A1	METHOD TO MONITOR DRUG EFFICACY IN DIABETIC PATIENTS USING AN ASSAY FOR 1,5-ANHYDRO-D-GLUCITOL	NIPPON KAYAKU KABUSHIKI KAISHA (JP)	2010-02-25	—	—	US	disclosed