SCHEMBL8905387

SCHEMBL8905387

CCC=CC=C(C)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
GLO1 Q04760 1/20 0.37
PPARA Q07869 1/20 0.35
PTGS1 P23219 1/20 0.32
OXER1 Q8TDS5 2/20 0.32
ALDH1A1 P00352 2/20 0.31
FFAR1 O14842 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL26317382 1.00 TRPA1 (0.42) TRPA1GLO1PPARAPTGS1OXER1
SCHEMBL111264 0.83 PTGS1 (0.50) TRPA1GLO1PPARAPTGS1OXER1
SCHEMBL16129662 0.83 PTGS1 (0.50) TRPA1GLO1PPARAPTGS1OXER1
SCHEMBL310760 0.81 PPARA (0.37) PPARAPPARG
SCHEMBL14548184 0.81 TRPA1 (0.39) TRPA1GLO1PTGS1
SCHEMBL3830095 0.79 TRPA1 (0.37) TRPA1GLO1
SCHEMBL5478606 0.79 TRPA1 (0.37) TRPA1GLO1OXER1ALDH1A1
SCHEMBL24743510 0.79 GLO1 (0.38) TRPA1GLO1PPARA
SCHEMBL8228958 0.76 TRPA1 (0.39) TRPA1GLO1PPARAOXER1ALDH1A1
SCHEMBL15700249 0.76 TRPA1 (0.34) TRPA1PPARAPTGS1

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
CN-117426473-A Preparation method of salix mongolica water extract, preparation method of salix mongolica flavor seasoning and application of salix mongolica flavor seasoning 黄山学院 2024-01-23 CN disclosed
CN-110200307-B Agilawood health-care cigarette and preparation method thereof 赣州市七道皇香药生物科技有限公司 2021-07-06 CN disclosed
CN-110200307-A A kind of health care agilawood cigarette and preparation method thereof 赣州市七道皇文化发展有限公司 2019-09-06 CN disclosed
CN-109294839-A A kind of natural perfume material health liquor and preparation method thereof 赣州市七道皇文化发展有限公司 2019-02-01 CN disclosed
CN-109260109-A A kind of natural perfume material facial treatment essence liquid and preparation method thereof 赣州市七道皇文化发展有限公司 2019-01-25 CN disclosed
CN-109259013-A A kind of pure natural spice beverage and preparation method thereof 赣州市七道皇文化发展有限公司 2019-01-25 CN disclosed
CN-108670912-A A kind of preparation method of pure natural spice Essence 赣州市七道皇文化发展有限公司 2018-10-19 CN disclosed
CN-103925774-B The drying means of mahogany furniture health care can be given full play to ZHONGSHAN DONGCHENG FURNITURE CO., LTD. (CN) 2015-10-28 CN disclosed
CN-103925774-A Drying method capable of fully exerting health care function of redwood furniture ZHONGSHAN DONGCHENG FURNITURE CO LTD 2014-07-16 CN disclosed
EP-0804402-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1997-11-05 EP disclosed
WO-1996022268-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1996-07-25 WO disclosed