SCHEMBL15418263

SCHEMBL15418263

CCC1=C(C)C(C)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL7205910 0.73 CA1 (0.41) CA1CA2CA4KMT2A
SCHEMBL16179964 0.67 CA1 (0.32) CA1CA2CA4KMT2A
SCHEMBL15418766 0.67
SCHEMBL11800952 0.66
SCHEMBL1778887 0.65 HCAR2 (0.35) CA1CA2CA4KMT2A
SCHEMBL511158 0.64
SCHEMBL8612466 0.64
SCHEMBL15247092 0.64 MAOA (0.32)
SCHEMBL8612468 0.64
SCHEMBL27590956 0.62 CA1 (0.34) CA1CA2CA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687586-B1 Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes SYMRISE AG (DE) 2016-11-23 EP claimed
US-20140023770-A1 Use Of Defined Cyclohexenones As Agents For The Superadditive Enhancement Of An Olfactory Impression And Fragrance And/Or Flavor Material Composition SYMRISE AG (DE) 2014-01-23 US claimed
EP-2687586-A1 Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes Symrise AG (DE) 2014-01-22 EP claimed
EP-2687586-B1 Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes SYMRISE AG (DE) 2016-11-23 EP disclosed
EP-2687586-B1 Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes SYMRISE AG (DE) 2016-11-23 EP disclosed
US-20140023770-A1 Use Of Defined Cyclohexenones As Agents For The Superadditive Enhancement Of An Olfactory Impression And Fragrance And/Or Flavor Material Composition SYMRISE AG (DE) 2014-01-23 US disclosed
US-20140023770-A1 Use Of Defined Cyclohexenones As Agents For The Superadditive Enhancement Of An Olfactory Impression And Fragrance And/Or Flavor Material Composition SYMRISE AG (DE) 2014-01-23 US disclosed
US-20140023770-A1 Use Of Defined Cyclohexenones As Agents For The Superadditive Enhancement Of An Olfactory Impression And Fragrance And/Or Flavor Material Composition SYMRISE AG (DE) 2014-01-23 US disclosed
EP-2687586-A1 Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes Symrise AG (DE) 2014-01-22 EP disclosed
EP-2687586-A1 Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes Symrise AG (DE) 2014-01-22 EP disclosed