SCHEMBL2185238

SCHEMBL2185238

C=C1CCCC(C)(C)C1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
PTPN2 P17706 2/20 0.36
PTPN1 P18031 2/20 0.36
HSD11B1 P28845 2/20 0.33
PNLIP P16233 1/20 0.33
NR3C1 P04150 3/20 0.33
PGR P06401 3/20 0.33
AR P10275 3/20 0.33
NR3C2 P08235 1/20 0.33
UGT2B7 P16662 1/20 0.33
SOAT1 P35610 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
STAT3 P40763 1/20 0.31
NLRP3 Q96P20 1/20 0.31
MCL1 Q07820 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4359741 0.85 TRPA1 (0.41) TRPA1PTPN2PTPN1PNLIPNR3C1
SCHEMBL23530425 0.80 TRPA1 (0.39) TRPA1PTPN2PTPN1NR3C1PGR
SCHEMBL29414123 0.80 TRPA1 (0.39) TRPA1PTPN2PTPN1NR3C1PGR
SCHEMBL755859 0.80 TRPA1 (0.39) TRPA1PTPN2PTPN1NR3C1PGR
SCHEMBL17129801 0.80 TRPA1 (0.38) TRPA1PTPN2PTPN1PNLIPNR3C1
SCHEMBL11811818 0.79 TRPA1 (0.40) TRPA1PTPN2PTPN1NR3C1PGR
SCHEMBL11817230 0.79 PTPN2 (0.39) TRPA1PTPN2PTPN1PNLIPNR3C1
SCHEMBL2137071 0.79 PTPN2 (0.39) TRPA1PTPN2PTPN1PNLIPNR3C1
SCHEMBL30879540 0.79 PTPN2 (0.39) TRPA1PTPN2PTPN1PNLIPNR3C1
SCHEMBL1179186 0.79 PTPN2 (0.39) TRPA1PTPN2PTPN1PNLIPNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116018124-A Composition for limiting or eliminating sweat odor perception 弗门尼舍有限公司 2023-04-25 CN claimed
EP-0378825-B1 Alicyclic esters and their use as flavouring agents FIRMENICH & CIE (CH) 1994-07-06 EP claimed
EP-0378825-A2 Alicyclic esters and their use as flavouring agents FIRMENICH SA (CH) 1990-07-25 EP claimed
CN-116018124-A Composition for limiting or eliminating sweat odor perception 弗门尼舍有限公司 2023-04-25 CN disclosed
CN-113195695-A Method for eliminating malodor in washing machine comprising adding essence precursor 奇华顿股份有限公司 2021-07-30 CN disclosed
CN-110074986-A The microcapsules of compound and application thereof to photo-labile containing release gas 弗门尼舍有限公司 2019-08-02 CN disclosed
CN-107666897-A The high microcapsules of surface deposition 弗门尼舍有限公司 2018-02-06 CN disclosed
CN-107427807-A The method for preparing polyurea microcapsule 弗门尼舍有限公司 2017-12-01 CN disclosed
CN-106456506-A Mixed perfume microcapsule 弗门尼舍有限公司 2017-02-22 CN disclosed
EP-2177598-B1 The use of isomers of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester in perfume compositions and perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2011-07-13 EP disclosed
WO-2006027664-A2 PROCESS FOR PRODUCING NANO-CAPSULES CONTAINING A FRAGRANCE FIRMENICH SA (CH) 2006-03-16 WO disclosed
EP-0378825-B1 Alicyclic esters and their use as flavouring agents FIRMENICH & CIE (CH) 1994-07-06 EP disclosed
US-5015625-A Methylenecyclohexane Carboxylates FIRMENICH SA (CH) 1991-05-14 US disclosed
EP-0378825-A2 Alicyclic esters and their use as flavouring agents FIRMENICH SA (CH) 1990-07-25 EP disclosed