SCHEMBL28376136

SCHEMBL28376136

C=CCc1ccc(OC(=C)C)c(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.76
ALDH1A1 P00352 4/20 0.73
PPARA Q07869 3/20 0.73
PPARG P37231 1/20 0.73
PPARD Q03181 1/20 0.73
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
CYP3A4 P08684 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
ALOX5 P09917 4/20 0.62
AR P10275 1/20 0.62
TRPM8 Q7Z2W7 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
HTT P42858 1/20 0.61
GABRA1 P14867 3/20 0.60

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
SCHEMBL16034038 0.87 PTGS1 (0.79) PTGS1ALDH1A1PPARAPPARGPPARD
Eugenyl Acetate SCHEMBL112232 0.86 PTGS1 (1.00) PTGS1ALDH1A1PPARAPPARGPPARD
Eugenyl Acetate SCHEMBL14764089 0.86 PTGS1 (1.00) PTGS1ALDH1A1PPARAPPARGPPARD
Eugenyl Acetate SCHEMBL29802968 0.86 PTGS1 (1.00) PTGS1ALDH1A1PPARAPPARGPPARD
Methyleugenol SCHEMBL113794 0.85 ALDH1A1 (1.00) PTGS1ALDH1A1PPARAPPARGPPARD
Methyleugenol SCHEMBL1869396 0.85 ALDH1A1 (1.00) PTGS1ALDH1A1PPARAPPARGPPARD
Methyleugenol SCHEMBL29376951 0.85 ALDH1A1 (1.00) PTGS1ALDH1A1PPARAPPARGPPARD
Methyleugenol SCHEMBL27600712 0.83 ALDH1A1 (0.96) PTGS1ALDH1A1PPARAPPARGPPARD
Methyleugenol SCHEMBL27951383 0.83 ALDH1A1 (0.96) PTGS1ALDH1A1PPARAPPARGPPARD
Methyleugenol SCHEMBL5564539 0.83 ALDH1A1 (0.96) PTGS1ALDH1A1PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110809570-A Preparation method of ortho-alkoxy bisphenol monomer 鲁汶天主教大学 2020-02-18 CN disclosed