SCHEMBL2591695

SCHEMBL2591695

CC(C)(C)CCNS(=O)(=O)O.[NaH]

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MLYCD O95822 1/20 0.30

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1726929 0.98 PDK1 (0.32) PDK1PDK2PDK3PDK4SIGMAR1
SCHEMBL2588015 0.95 PDK1 (0.31) PDK1PDK2PDK3PDK4SIGMAR1
SCHEMBL1728200 0.84 GRIA1 (0.37)
SCHEMBL1728208 0.84 GRIA1 (0.37)
SCHEMBL1728087 0.82 GRIA1 (0.40)
SCHEMBL10697148 0.79 ALDH1A1 (0.32)
SCHEMBL27822246 0.76 CA5A (0.33)
SCHEMBL11954378 0.75 POLB (0.36) PDK1PDK2PDK3PDK4
SCHEMBL23613033 0.73 EPHX1 (0.33)
SCHEMBL15925065 0.73 MEN1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103416714-A Sweetness enhancers, sweetness enhanced sweetener compositions, methods for their formulation, and uses COCA COLA CO 2013-12-04 CN disclosed
CN-101742925-B Sweetness enhancers, sweetness enhanced sweetener compositions, methods of their formulation, and uses COCA COLA CO 2013-08-07 CN disclosed
US-20130123135-A1 Methods To Identify Modulators of TAS2R48 Receptors GIVAUDAN SA (CH) 2013-05-16 US disclosed
US-20130115624-A1 Methods To Identify Modulators GIVAUDAN S.A. (CH) 2013-05-09 US disclosed
EP-2567231-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS Givaudan SA (CH) 2013-03-13 EP disclosed
EP-2567229-A1 METHODS TO IDENTIFY MODULATORS Givaudan SA (CH) 2013-03-13 EP disclosed
WO-2011138456-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed
WO-2011138455-A1 METHODS TO IDENTIFY MODULATORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed
CN-101742925-A Sweetness enhancers, sweetness enhanced sweetener compositions, methods of their formulation, and uses COCA COLA CO 2010-06-16 CN disclosed