SCHEMBL4322129

CCCCCCCC(=O)[C@]1(O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CDK1	P06493	1/20	0.36

▸	CCNB1	P14635	1/20	0.36

▸	PRKCA	P17252	6/20	0.36

▸	PYGB	P11216	2/20	0.34

▸	MAPK1	P28482	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
SCHEMBL9095367	0.83	PYGB (0.40)	PRKCAPYGBMAPK1
SCHEMBL1173142	0.82	PRKCA (0.39)	PRKCAPYGBMAPK1
SCHEMBL1173608	0.82	PRKCA (0.39)	PRKCAPYGBMAPK1
SCHEMBL29402765	0.80	PRKCA (0.39)	CDK1CCNB1PRKCA
SCHEMBL5148037	0.78	PRKCA (0.45)	PRKCA
SCHEMBL905506	0.78	PRKCA (0.45)	PRKCA
SCHEMBL905505	0.78	PRKCA (0.45)	PRKCA
SCHEMBL1173385	0.76	FAAH (0.40)	—
SCHEMBL29377047	0.75	CNR2 (0.39)	PRKCA
SCHEMBL29456958	0.75	CNR2 (0.39)	PRKCA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2084519-A2	ADVANCED DRUG DEVELOPMENT AND MANUFACTURING	Los Alamos National Security, LLC (US)	2009-08-05	—	—	EP	disclosed
WO-2008127291-A2	ADVANCED DRUG DEVELOPMENT AND MANUFACTURING	LOS ALAMOS NATIONAL SECURITY, LLC (US)	2008-10-23	—	—	WO	disclosed