SCHEMBL4978783

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

nearest known ligand 0.55

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	14/20	0.55

▸	FOLH1	Q04609	2/20	0.48

▸	CTSD	P07339	3/20	0.46

▸	ECE1	P42892	2/20	0.46

▸	TASP1	Q9H6P5	1/20	0.42

▸	BACE2	Q9Y5Z0	1/20	0.42

▸	BMP1	P13497	1/20	0.42

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
SCHEMBL29477121	0.93	BACE1 (0.61)	BACE1FOLH1CTSDBACE2
SCHEMBL29477117	0.93	BACE1 (0.61)	BACE1FOLH1CTSDBACE2
SCHEMBL30587028	0.92	BACE1 (0.54)	BACE1FOLH1CTSDECE1BMP1
SCHEMBL31416060	0.89	FOLH1 (0.60)	BACE1FOLH1BACE2
SCHEMBL31206447	0.89	FOLH1 (0.50)	BACE1FOLH1ECE1TASP1
SCHEMBL30469501	0.89	FOLH1 (0.49)	BACE1FOLH1TASP1
SCHEMBL31341098	0.88	BACE1 (0.46)	BACE1FOLH1CTSDTASP1BACE2
SCHEMBL16566026	0.88	BACE1 (0.48)	BACE1FOLH1ECE1BMP1
SCHEMBL30193504	0.88	BACE1 (0.52)	BACE1FOLH1CTSDECE1
SCHEMBL30596286	0.87	BACE1 (0.52)	BACE1FOLH1CTSDECE1BMP1

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-20080066741-A1	METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION	HUNTER, CHARLES ERIC	2008-03-20	—	—	US	disclosed