SCHEMBL28091513

SCHEMBL28091513

Cc1c(O)cccc1CCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
ATM Q13315 1/20 0.45
TYR P14679 1/20 0.41
BID P55957 4/20 0.40
MCL1 Q07820 4/20 0.40
BCL2L1 Q07817 3/20 0.40
BAK1 Q16611 3/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
IAPP P10997 2/20 0.38
MPO P05164 1/20 0.38
SLC6A4 P31645 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1917838 0.88 TRPA1 (0.48) TRPA1ATMIAPPTP53GAA
SCHEMBL822159 0.84 TYR (0.53) TRPA1ATMTYRBIDMCL1
SCHEMBL28079318 0.82 TRPA1 (0.43) TRPA1ATMTYRBIDMCL1
SCHEMBL27545651 0.82 TYR (0.61) TYRBIDMCL1BCL2L1BAK1
SCHEMBL12523564 0.82 TAAR1 (0.48) TRPA1ATMTYRBIDMCL1
SCHEMBL28031650 0.82 TRPA1 (0.43) TRPA1ATMTYRBIDMCL1
SCHEMBL79526 0.82 ESR1 (0.43) TRPA1ATMTP53GAAMAPT
SCHEMBL1827105 0.81 PDCD1 (0.39) TYRBIDMCL1BCL2L1BAK1
SCHEMBL6213853 0.81 TYR (0.64) TYRBIDMCL1BCL2L1BAK1
SCHEMBL10475511 0.81 TYR (0.64) TYRBIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110448515-A Oral cavity profitable strain is not destroyed, specificity inhibits helicobacter pylori mouthwash SHANGHAI LYURUI BIOTECHNOLOGY CO LTD 2019-11-15 CN claimed
CN-107641250-A A kind of antibacterial matrices for polypropylene plastics and preparation method thereof 浙江玉智德新材料科技有限公司 2018-01-30 CN claimed
CN-107312228-A It is a kind of for antibacterial matrices of vinyon and preparation method thereof 浙江玉智德新材料科技有限公司 2017-11-03 CN claimed
CN-110464670-A A kind of type mouthwash that spumes with improvement mouthfeel and comfort level SHANGHAI LYURUI BIOLOGICAL TECH CO LTD 2019-11-19 CN disclosed
CN-110448515-A Oral cavity profitable strain is not destroyed, specificity inhibits helicobacter pylori mouthwash SHANGHAI LYURUI BIOTECHNOLOGY CO LTD 2019-11-15 CN disclosed
CN-109843254-A Cosmetic preparation 花王株式会社 2019-06-04 CN disclosed
CN-105849244-B Endoscope lens cleaning agent 长濑医药品株式会社 2019-05-17 CN disclosed
CN-105142604-B Cosmetics for skin 花王株式会社 2018-07-03 CN disclosed
CN-104883882-B Method for producing antimicrobial composition 花王株式会社 2017-11-17 CN disclosed
CN-104582674-B Body odor inhibitor 株式会社漫丹 2017-10-13 CN disclosed
CN-107106445-A Liquid oral composition in foam-discharging container 花王株式会社 2017-08-29 CN disclosed
CN-103998029-B The manufacture method of antimicrobial composition 花王株式会社 2016-10-12 CN disclosed