SCHEMBL16246786

SCHEMBL16246786

CC1(C)CCCC(CCOC(C)(C)CCCC(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
UGT2B7 P16662 1/20 0.32
CDC25A P30304 1/20 0.31
ARG1 P05089 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL3397405 0.79 ARG1 (0.34) GAAARG1
SCHEMBL28336932 0.79 ARG1 (0.33) ARG1
SCHEMBL29279718 0.79
SCHEMBL8089614 0.79 LMNA (0.39) UGT2B7CDC25AARG1
SCHEMBL16246785 0.78 ARG1 (0.30) ARG1
SCHEMBL23832179 0.76
SCHEMBL17629482 0.76
SCHEMBL17294074 0.76
SCHEMBL29262872 0.74 ALDH1A1 (0.34)
SCHEMBL18228937 0.74 ALDH1A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3223800-A1 COMPOSITIONS COMPRISING ENCAPSULATED ACTIVES WITHIN DROPLETS AND OTHER COMPARTMENTS The Procter & Gamble Company (US) 2017-10-04 EP claimed
WO-2016085740-A1 COMPOSITIONS COMPRISING ENCAPSULATED ACTIVES WITHIN DROPLETS AND OTHER COMPARTMENTS THE PROCTER & GAMBLE COMPANY (US) 2016-06-02 WO claimed
WO-2014189980-A1 ENCAPSULATES PGIOSA (CH) 2014-11-27 WO claimed
EP-3802513-A1 FRAGRANCE MATERIALS Takasago International Corporation (JP) 2021-04-14 EP disclosed
EP-3776570-A1 FRAGRANCE COMPOSITIONS AND USE THEREOF FOR IMPROVING SLEEP Takasago International Corporation (JP) 2021-02-17 EP disclosed
WO-2019199882-A1 USE OF (S)-METHOXYMELONAL IN FRAGRANCE AND FLAVOR COMPOSITIONS TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2019-10-17 WO disclosed
WO-2019173772-A1 FRAGRANCE AND FLAVOR MATERIALS FROM 1-(2-HYDROXY-4-METHYLCYCLOHEXYL)-ETHANONE TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2019-09-12 WO disclosed
WO-2019173776-A1 FRAGRANCE AND FLAVOR MATERIALS DERIVED FROM 1-(4-METHYLCYCLOHEX-1-EN-1-YL)ETHAN-1-ONE TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2019-09-12 WO disclosed
EP-2999776-A2 ENCAPSULATES The Procter & Gamble Company (US) 2016-03-30 EP disclosed
WO-2014189906-A2 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2014-11-27 WO disclosed
WO-2014189980-A1 ENCAPSULATES PGIOSA (CH) 2014-11-27 WO disclosed