SCHEMBL18823922

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

nearest known ligand 0.48

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	PRKAG1	P54619	6/20	0.48

▸	PRKAA2	P54646	6/20	0.48

▸	PRKAB1	Q9Y478	6/20	0.48

▸	TOP2A	P11388	6/20	0.41

▸	TOP2B	Q02880	6/20	0.41

▸	ACHE	P22303	3/20	0.40

▸	MEN1	O00255	1/20	0.35

▸	POLB	P06746	1/20	0.35

▸	MAPT	P10636	1/20	0.35

▸	HTT	P42858	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	ATM	Q13315	1/20	0.35

▸	SMN1; SMN2	Q16637	1/20	0.35

▸	F3	P13726	2/20	0.35

▸	FNTA	P49354	1/20	0.34

▸	FNTB	P49356	1/20	0.34

▸	CDC25B	P30305	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
Cabenoside D SCHEMBL18805159	0.93	PRKAG1 (0.49)	PRKAG1PRKAA2PRKAB1TOP2ATOP2B
Cabenoside D SCHEMBL30340049	0.93	PRKAG1 (0.49)	PRKAG1PRKAA2PRKAB1TOP2ATOP2B
SCHEMBL18823458	0.88	F3 (0.37)	PRKAG1PRKAA2PRKAB1POLBF3
SCHEMBL18805317	0.87	PRKAG1 (0.42)	PRKAG1PRKAA2PRKAB1POLBF3
SCHEMBL29636989	0.86	PRKAG1 (0.41)	PRKAG1PRKAA2PRKAB1POLBF3
SCHEMBL18815980	0.86	PRKAG1 (0.41)	PRKAG1PRKAA2PRKAB1POLBF3
SCHEMBL23685845	0.85	TYR (0.43)	PRKAG1PRKAA2PRKAB1F3
SCHEMBL18818006	0.85	TYR (0.43)	PRKAG1PRKAA2PRKAB1F3
SCHEMBL18805297	0.85	PRKAG1 (0.40)	PRKAG1PRKAA2PRKAB1POLBF3
SCHEMBL24503392	0.85	PRKAG1 (0.40)	PRKAG1PRKAA2PRKAB1POLBF3

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