SCHEMBL18823332

C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)C1CC[C@@]2(C)C3CC=C4C(CC[C@H]([N+](=O)[O-])C4(C)C)[C@]3(C)C(=O)C[C@]12C

nearest known ligand 0.40

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PRKAG1	P54619	5/20	0.40

▸	PRKAA2	P54646	5/20	0.40

▸	PRKAB1	Q9Y478	5/20	0.40

▸	PTPN1	P18031	3/20	0.38

▸	TYR	P14679	1/20	0.38

▸	F3	P13726	7/20	0.36

▸	PAX8	Q06710	1/20	0.36

▸	L3MBTL1	Q9Y468	1/20	0.36

▸	TOP2A	P11388	1/20	0.34

▸	TOP2B	Q02880	1/20	0.34

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
SCHEMBL18817878	0.91	PRKAG1 (0.49)	PRKAG1PRKAA2PRKAB1PTPN1TYR
SCHEMBL29636989	0.91	PRKAG1 (0.41)	PRKAG1PRKAA2PRKAB1PTPN1TYR
SCHEMBL18815980	0.91	PRKAG1 (0.41)	PRKAG1PRKAA2PRKAB1PTPN1TYR
SCHEMBL18818606	0.89	PRKAG1 (0.47)	PRKAG1PRKAA2PRKAB1PTPN1TYR
SCHEMBL18823457	0.89	PRKAG1 (0.36)	PRKAG1PRKAA2PRKAB1PTPN1TYR
SCHEMBL18823458	0.89	F3 (0.37)	PRKAG1PRKAA2PRKAB1PTPN1TYR
11-Oxomogroside Iv A SCHEMBL23685849	0.88	PRKAG1 (0.39)	PRKAG1PRKAA2PRKAB1PTPN1TYR
SCHEMBL18818094	0.88	PRKAG1 (0.39)	PRKAG1PRKAA2PRKAB1PTPN1TYR
SCHEMBL18805157	0.88	PRKAG1 (0.39)	PRKAG1PRKAA2PRKAB1PTPN1TYR
11-Oxomogroside Iv A SCHEMBL18817849	0.88	PRKAG1 (0.39)	PRKAG1PRKAA2PRKAB1PTPN1TYR

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-2017075257-A2	HIGH INTENSITY SWEETENERS	SENOMYX, INC. (US)	2017-05-04	—	—	WO	disclosed