SCHEMBL2400979

SCHEMBL2400979

CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2D6 P10635 2/20 1.00
HPGD P15428 2/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP2C9 P11712 1/20 1.00
ALOX15 P16050 1/20 1.00
CYP2C19 P33261 1/20 1.00
BLM P54132 1/20 1.00
PMP22 Q01453 1/20 1.00
TRPV1 Q8NER1 9/20 0.93
MEN1 O00255 1/20 0.87
TP53 P04637 1/20 0.87
MAPT P10636 1/20 0.87
MTOR P42345 1/20 0.87
KMT2A Q03164 1/20 0.87
EPHX2 P34913 1/20 0.81

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
SCHEMBL29669968 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL29368417 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL5088067 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL1155582 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
Nonivamide SCHEMBL81939 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL8373082 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL1155739 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL679954 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL5889449 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
Nonivamide SCHEMBL29425552 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6HPGDALDH1A1

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 23 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
US-20190218156-A1 AGONIST/ANTAGONIST COMPOSITIONS AND METHODS OF USE THE UNITED SATTES OF AMERICA AS REPRESENTED BY THE SECRETARY DEPT OF HEALTH & HUMAN SERVICES (US) 2019-07-18 US 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
US-20160251276-A1 AGONIST/ANTAGONIST COMPOSITIONS AND METHODS OF USE THE US SECRETARY DEPT OF HEALTH & HUMAN SERVICES (US) 2016-09-01 US claimed
US-9277748-B2 Agonist/antagonist compositions and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2016-03-08 US claimed
US-20130203736-A1 AGONIST/ANTAGONIST COMPOSITIONS AND METHODS OF USE USDHHS Office of Technology Transfer (US) 2013-08-08 US claimed
US-7270802-B2 Non-lethal temporary incapacitation formulation and novel solvent system ZARC INTERNATIONAL, INC. (US) 2007-09-18 US claimed
WO-2004062641-A1 NON-LETHAL TEMPORARY INCAPACITATION FORMULATION AND NOVEL SOLVENT SYSTEM ZARC INTERNATIONAL, INC. (US) 2004-07-29 WO claimed
US-20030129138-A1 Non-lethal temporary incapacitation formulation and novel solvent system ZARC INTERNATIONAL, INC. 2003-07-10 US claimed
EP-0546078-B1 BIRDFOOD CONTAINING CAPSAICIN OR ITS DERIVATIVES OR ANALOGUES US HEALTH (US) 1999-02-24 EP claimed
CN-107532063-B Methylmenthol derivative and cold-sensitive composition containing the same 高砂香料工业株式会社 2020-03-10 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
US-20190218156-A1 AGONIST/ANTAGONIST COMPOSITIONS AND METHODS OF USE THE UNITED SATTES OF AMERICA AS REPRESENTED BY THE SECRETARY DEPT OF HEALTH & HUMAN SERVICES (US) 2019-07-18 US disclosed
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 disclosed
US-20170318848-A1 FLAVOR-IMPROVING AGENT TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-11-09 US disclosed
US-20130203736-A1 AGONIST/ANTAGONIST COMPOSITIONS AND METHODS OF USE USDHHS Office of Technology Transfer (US) 2013-08-08 US disclosed
WO-2011112956-A1 AGONIST/ANTAGONIST COMPOSITIONS AND METHODS OF USE GOVERNMENT OF THE USA, AS REPRESENTED BY THE SEC., DEPT. OF HEALTH AND HUMAN SERVICES (US) 2011-09-15 WO disclosed
US-7270802-B2 Non-lethal temporary incapacitation formulation and novel solvent system ZARC INTERNATIONAL, INC. (US) 2007-09-18 US disclosed
WO-2004062641-A1 NON-LETHAL TEMPORARY INCAPACITATION FORMULATION AND NOVEL SOLVENT SYSTEM ZARC INTERNATIONAL, INC. (US) 2004-07-29 WO disclosed
US-20030129138-A1 Non-lethal temporary incapacitation formulation and novel solvent system ZARC INTERNATIONAL, INC. 2003-07-10 US disclosed