SCHEMBL24813508

SCHEMBL24813508

C=CCc1ccc(OCCCO)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.70
ALDH1A1 P00352 7/20 0.69
PPARG P37231 1/20 0.69
PPARD Q03181 1/20 0.69
MAPT P10636 4/20 0.66
KDM4E B2RXH2 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 2/20 0.66
GAA P10253 2/20 0.66
HTT P42858 1/20 0.66
TDP1 Q9NUW8 1/20 0.64
NPC1 O15118 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
PTGS1 P23219 2/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX5 P09917 1/20 0.59
AR P10275 1/20 0.59
TRPM8 Q7Z2W7 1/20 0.59

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
SCHEMBL11330679 0.93 ALDH1A1 (0.71) PPARAALDH1A1PPARGPPARDMAPT
SCHEMBL29421974 0.91 ALDH1A1 (0.77) PPARAALDH1A1PPARGPPARDMAPT
SCHEMBL9722069 0.91 ALDH1A1 (0.77) PPARAALDH1A1PPARGPPARDMAPT
SCHEMBL9722038 0.91 ALDH1A1 (0.77) PPARAALDH1A1PPARGPPARDMAPT
SCHEMBL9722076 0.89 ALDH1A1 (0.75) PPARAALDH1A1PPARGPPARDMAPT
SCHEMBL9722049 0.89 ALDH1A1 (0.75) PPARAALDH1A1PPARGPPARDMAPT
SCHEMBL10536910 0.89 ALDH1A1 (0.80) PPARAALDH1A1PPARGPPARDMAPT
N-Butyleugenol SCHEMBL18035642 0.87 ALDH1A1 (0.71) PPARAALDH1A1PPARGPPARDMAPT
SCHEMBL375372 0.86 ALDH1A1 (0.75) PPARAALDH1A1PPARGPPARDMAPT
SCHEMBL357725 0.85 PPARA (0.70) PPARAALDH1A1PPARGPPARDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113825746-B Method for producing furfural 国际壳牌研究有限公司 2024-04-05 CN disclosed
CN-114736103-B Method for separating propyl guaiacol and propyl syringol from lignin oil 天津大学 2023-09-22 CN disclosed
WO-2022267989-A1 EUGENOL BIO-BASED SILICON-CONTAINING OXETANE MONOMER AND PREPARATION METHOD THEREFOR 湖北固润科技股份有限公司 2022-12-29 WO disclosed
CN-113825746-A Process for producing furfural 国际壳牌研究有限公司 2021-12-21 CN disclosed
CN-113416317-B A method for separating C-type lignin and G/S-type lignin from seed coat of Euphorbiaceae plant 北京林业大学 2021-11-09 CN disclosed
CN-113416317-A A method for separating C-type lignin and G/S-type lignin from seed coat of Euphorbiaceae plant 北京林业大学 2021-09-21 CN disclosed