SCHEMBL18823458

C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C[N+](=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)C1CC[C@@]2(C)C3CC=C4C(CC[C@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

nearest known ligand 0.38

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	F3	P13726	3/20	0.37

▸	PRKAG1	P54619	3/20	0.36

▸	PRKAA2	P54646	3/20	0.36

▸	PRKAB1	Q9Y478	3/20	0.36

▸	PTPN1	P18031	2/20	0.36

▸	PTPN2	P17706	1/20	0.36

▸	TYR	P14679	1/20	0.35

▸	GLS	O94925	1/20	0.35

▸	XDH	P47989	1/20	0.35

▸	STAT3	P40763	2/20	0.34

▸	POLB	P06746	1/20	0.33

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
11-Oxomogroside Iv A SCHEMBL29378868	0.96	PRKAG1 (0.39)	F3PRKAG1PRKAA2PRKAB1PTPN1
SCHEMBL30842605	0.96	PRKAG1 (0.39)	F3PRKAG1PRKAA2PRKAB1PTPN1
11-Oxomogroside Iv A SCHEMBL26324816	0.96	PRKAG1 (0.39)	F3PRKAG1PRKAA2PRKAB1PTPN1
11-Oxomogroside Iv A SCHEMBL18817849	0.96	PRKAG1 (0.39)	F3PRKAG1PRKAA2PRKAB1PTPN1
SCHEMBL18818094	0.96	PRKAG1 (0.39)	F3PRKAG1PRKAA2PRKAB1PTPN1
11-Oxomogroside Iv A SCHEMBL23685849	0.96	PRKAG1 (0.39)	F3PRKAG1PRKAA2PRKAB1PTPN1
SCHEMBL18817848	0.96	PRKAG1 (0.39)	F3PRKAG1PRKAA2PRKAB1PTPN1
SCHEMBL18805162	0.94	PRKAG1 (0.37)	F3PRKAG1PRKAA2PRKAB1PTPN1
SCHEMBL18818633	0.94	PRKAG1 (0.37)	F3PRKAG1PRKAA2PRKAB1PTPN1
SCHEMBL18805167	0.94	PRKAG1 (0.37)	F3PRKAG1PRKAA2PRKAB1PTPN1

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