SCHEMBL3257974

SCHEMBL3257974

NS(=O)(=O)OC1CC2CCC1C2.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
SCN9A Q15858 5/20 0.33
CYP19A1 P11511 1/20 0.33
BRS3 P32247 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IRAK4 Q9NWZ3 3/20 0.31

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
SCHEMBL14779292 0.78 ATM (0.40) ATMPDE4APDE4BPDE4CPDE4D
SCHEMBL14837086 0.76 ATM (0.39) ATMPDE4APDE4BPDE4CPDE4D
SCHEMBL14837217 0.76 ATM (0.39) ATMPDE4APDE4BPDE4CPDE4D
SCHEMBL14778092 0.74 ATM (0.38) ATMPDE4APDE4BPDE4CPDE4D
SCHEMBL3070462 0.72 ATM (0.38) ATMPDE4APDE4BPDE4CPDE4D
SCHEMBL700295 0.71 BRS3 (0.36) ATMPDE4APDE4BPDE4CPDE4D
SCHEMBL8796119 0.70 CYP1A2 (0.38) CA1CA2CYP1A2CYP2D6CYP2C9
SCHEMBL3082652 0.69 ATM (0.40) ATMPDE4APDE4BPDE4CPDE4D
SCHEMBL7678699 0.69
SCHEMBL9077300 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383183-B2 Sweetness enhancers, sweetness enhanced sweetener compositions, methods for their formulation, and uses THE COCA-COLA COMPANY (US) 2013-02-26 US disclosed
EP-2550871-A1 Sweetness enhancers, sweetness enhanced sweetener compositions, methods for their formulation, and uses The Coca-Cola Company (US) 2013-01-30 EP disclosed
US-20110318464-A1 SWEETNESS ENHANCERS, SWEETNESS ENHANCED SWEETENER COMPOSITIONS, METHODS FOR THEIR FORMULATION, AND USES THE COCA-COLA COMPANY (US) 2011-12-29 US disclosed
EP-2164348-A1 SWEETNESS ENHANCERS, SWEETNESS ENHANCED SWEETENER COMPOSITIONS, METHODS FOR THEIR FORMULATION, AND USES THE COCA-COLA COMPANY (US) 2010-03-24 EP disclosed
WO-2008147727-A1 SWEETNESS ENHANCERS, SWEETNESS ENHANCED SWEETENER COMPOSITIONS, METHODS FOR THEIR FORMULATION, AND USES THE COCA-COLA COMPANY (US) 2008-12-04 WO disclosed
US-20080292765-A1 Sweetness Enhancers, Sweetness Enhanced Sweetener Compositions, Methods for Their Formulation, and Uses THE COCA-COLA COMPANY (US) 2008-11-27 US disclosed