SCHEMBL15418525

SCHEMBL15418525

CCC1=CC(=O)CC(C)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.34
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
TLR4 O00206 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL21616446 0.77 LMNA (0.33) ALDH1A1
SCHEMBL1042381 0.70
SCHEMBL7383326 0.69 ACHE (0.37) CRBNALDH1A1
SCHEMBL15588771 0.68
SCHEMBL14609061 0.68
SCHEMBL29165329 0.68 NOS3 (0.35) NOS3NOS2TLR4ALDH1A1
SCHEMBL15418424 0.68
SCHEMBL10386743 0.68
SCHEMBL1020674 0.67
SCHEMBL30876312 0.67

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