SCHEMBL301700

SCHEMBL301700

CCCCC(C(N)=O)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 1/20 0.38
FDPS P14324 1/20 0.38
EPHX1 P07099 1/20 0.37
FAAH O00519 3/20 0.35
SOAT1 P35610 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ACE2 Q9BYF1 1/20 0.34
SCN5A Q14524 3/20 0.33
SCN9A Q15858 3/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SLC15A1 P46059 1/20 0.32

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
SCHEMBL11398423 0.92 EPHX1 (0.43) FDPSEPHX1FAAHSOAT1MEN1
SCHEMBL25288074 0.86 LMNA (0.38) CA1CA2FDPSEPHX1CYP3A4
Crotonic Acid SCHEMBL28236702 0.85 ACHE (0.34) EPHX1FAAHSOAT1MEN1TP53
SCHEMBL22130341 0.83 SOAT1 (0.35) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL28131064 0.79 FAAH (0.41) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL28064279 0.79 ACE2 (0.44) CA1CA2EPHX1FAAHSOAT1
SCHEMBL10698693 0.78 EPHX1 (0.42) FDPSEPHX1FAAHSOAT1MEN1
SCHEMBL29021151 0.77 LMNA (0.34) CA1CA2FDPSFAAHMEN1
SCHEMBL7347382 0.77 EPHX1 (0.40) CA1CA2FDPSEPHX1ACE2
SCHEMBL7379715 0.77 CA1 (0.41) CA1CA2FDPSEPHX1TP53

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110168038-A Methyl menthol derivative and cold feeling agent composition containing it 高砂香料工业株式会社 2019-08-23 CN claimed
CN-109803948-A Warming sensation compound 高砂香料工业株式会社 2019-05-24 CN claimed
CN-107532063-A Methyl menthol derivative and the cooling agent composition containing it 高砂香料工业株式会社 2018-01-02 CN claimed
EP-2584911-A1 ENHANCED RELEASE OF LIPOPHILIC INGREDIENTS FROM CHEWING GUM WITH HYDROCOLLOIDS Kraft Foods Global Brands LLC (US) 2013-05-01 EP claimed
WO-2011163152-A1 ENHANCED RELEASE OF LIPOPHILIC INGREDIENTS FROM CHEWING GUM WITH HYDROCOLLOIDS KRAFT FOODS GLOBAL BRANDS LLC (US) 2011-12-29 WO claimed
EP-3996505-A1 SYNERGISTIC FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS Bedoukian Research, Inc. (US) 2022-05-18 EP disclosed
EP-3996506-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS Bedoukian Research, Inc. (US) 2022-05-18 EP disclosed
WO-2021071898-A1 FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS BEDOUKIAN RESEARCH, INC. (US) 2021-04-15 WO disclosed
WO-2021071896-A1 SYNERGISTIC FORMULATIONS FOR CONTROL AND REPELLENCY OF BITING ARTHROPODS BEDOUKIAN RESEARCH, INC. (US) 2021-04-15 WO disclosed
CN-110312432-A The confectionery and preparation method thereof of dual texture 洲际大品牌有限责任公司 2019-10-08 CN disclosed
CN-110168038-A Methyl menthol derivative and cold feeling agent composition containing it 高砂香料工业株式会社 2019-08-23 CN disclosed
CN-109996778-A Taste adjusts aldehyde 高砂香料工业株式会社 2019-07-09 CN disclosed
CN-106998769-A Flavor improving agent 高砂香料工业株式会社 2017-08-01 CN disclosed
CN-106455618-A Multi-textured chewing gum and method of making same 洲际大品牌有限责任公司 2017-02-22 CN disclosed
EP-2584911-A1 ENHANCED RELEASE OF LIPOPHILIC INGREDIENTS FROM CHEWING GUM WITH HYDROCOLLOIDS Kraft Foods Global Brands LLC (US) 2013-05-01 EP disclosed
EP-2403349-A1 CHEWING GUM COMPOSITIONS PROVIDING FLAVOR RELEASE PROFILES Kraft Foods Global Brands LLC (US) 2012-01-11 EP disclosed
WO-2011163152-A1 ENHANCED RELEASE OF LIPOPHILIC INGREDIENTS FROM CHEWING GUM WITH HYDROCOLLOIDS KRAFT FOODS GLOBAL BRANDS LLC (US) 2011-12-29 WO disclosed
EP-2375912-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF THROAT DISCOMFORT Kraft Foods Global Brands LLC (US) 2011-10-19 EP disclosed
WO-2010102191-A1 CHEWING GUM COMPOSITIONS PROVIDING FLAVOR RELEASE PROFILES CADBURY ADAMS USA LLC (US) 2010-09-10 WO disclosed
WO-2010083133-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF THROAT DISCOMFORT CADBURY ADAMS USA LLC (US) 2010-07-22 WO disclosed