SCHEMBL28320667

SCHEMBL28320667

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

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.93
MAPT P10636 3/20 0.69
KDM4E B2RXH2 7/20 0.63
ALDH1A1 P00352 4/20 0.61
PPARG P37231 1/20 0.61
PPARD Q03181 1/20 0.61
PTGS1 P23219 1/20 0.61
TDP1 Q9NUW8 4/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP3A4 P08684 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.58

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
SCHEMBL28363676 0.95 PPARA (0.97) PPARAMAPTKDM4EALDH1A1PPARG
SCHEMBL4327190 0.93 PPARA (0.85) PPARAMAPTKDM4EALDH1A1PPARG
SCHEMBL9722069 0.86 ALDH1A1 (0.77) PPARAMAPTKDM4EALDH1A1PPARG
SCHEMBL9722038 0.86 ALDH1A1 (0.77) PPARAMAPTKDM4EALDH1A1PPARG
SCHEMBL29421974 0.86 ALDH1A1 (0.77) PPARAMAPTKDM4EALDH1A1PPARG
SCHEMBL27540317 0.85 PPARA (0.69) PPARAMAPTKDM4EALDH1A1PPARG
SCHEMBL30464883 0.85 PPARA (0.72) PPARAMAPTKDM4EALDH1A1PPARG
SCHEMBL7359872 0.85 PPARA (0.72) PPARAMAPTKDM4EALDH1A1PPARG
SCHEMBL9722076 0.84 ALDH1A1 (0.75) PPARAMAPTKDM4EALDH1A1PPARG
SCHEMBL9722049 0.84 ALDH1A1 (0.75) PPARAMAPTKDM4EALDH1A1PPARG

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-110172092-A A kind of synthetic method of eugenol artificial antigen 江南大学 2019-08-27 CN disclosed