SCHEMBL5820074

SCHEMBL5820074

CCCCCC1CCC=CO1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 3/20 0.40
PPARG P37231 2/20 0.36
PTAFR P25105 1/20 0.33
GRM2 Q14416 7/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAD52 P43351 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
SCHEMBL10334240 0.98 EPHX1 (0.50) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL31315086 0.87 EPHX1 (0.47) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL16404862 0.86
SCHEMBL11633458 0.81
SCHEMBL19409927 0.80 ALDH1A1 (0.48) EPHX1ALDH1A1CYP1A2PPARGGRM2
SCHEMBL11640189 0.78
SCHEMBL10559284 0.78 ALDH1A1 (0.52) EPHX1ALDH1A1CYP1A2PPARGGRM2
SCHEMBL10555211 0.78 ALDH1A1 (0.52) EPHX1ALDH1A1CYP1A2PPARGGRM2
SCHEMBL29742370 0.78 ALDH1A1 (0.52) EPHX1ALDH1A1CYP1A2PPARGGRM2
SCHEMBL260947 0.78 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2PPARGPTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108366597-B Substance mixture 西姆莱斯有限公司 2022-09-02 CN claimed
WO-2023127809-A1 ARYL DIHYDROPYRAN DERIVATIVE OR SALT THEREOF, PEST CONTROL AGENT CONTAINING SAME, AND METHOD FOR USE THEREOF 株式会社ADEKA 2023-07-06 WO disclosed
CN-115103719-A Encapsulated fragrance based on natural amino acids 西姆莱斯股份公司 2022-09-23 CN disclosed
CN-108366597-B Substance mixture 西姆莱斯有限公司 2022-09-02 CN disclosed
CN-113766969-A Process for preparing microcapsules 西姆莱斯股份公司 2021-12-07 CN disclosed
CN-113556944-A Mixture comprising D-psicose and taste modifying compound 西姆莱斯有限公司 2021-10-26 CN disclosed
CN-113507843-A Mixtures comprising rare sugars and taste modifying compounds 西姆莱斯有限公司 2021-10-15 CN disclosed
EP-3526308-B1 LIQUID-CRYSTALLINE MEDIUM, LIQUID CRYSTAL COMPOUND AND LIQUID-CRYSTAL DISPLAY DEVICE COMPRISING THE SAME MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
CN-104886258-B Protein material used as cheese substitute DMK德意志牛奶股份有限公司 2020-03-10 CN disclosed
WO-2018073151-A1 LIQUID-CRYSTALLINE MEDIUM, LIQUID CRYSTAL COMPOUND AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2018-04-26 WO disclosed
WO-2006125550-A1 METHOD FOR PRODUCING TETRAHYDROPYRANES FROM TETRAHYDROPYRAN-3-ONES MERCK PATENT GMBH (DE) 2006-11-30 WO disclosed
US-4536586-A PLANT GROWTH REGULATORS, HERBICIDES, CHEMICAL INTERMEDIATES SHELL DEVELOPMENT COMPANY (US) 1985-08-20 US disclosed
US-4486219-A PREEMERGENCE HERBICIDES SHELL OIL COMPANY (US) 1984-12-04 US disclosed