SCHEMBL11469869

SCHEMBL11469869

CCOC(C)OCC.O=CC/C=C/c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
PPARA Q07869 4/20 0.43
PPARD Q03181 3/20 0.43
PPARG P37231 2/20 0.43
RELA Q04206 1/20 0.41
IDO1 P14902 2/20 0.40
PAM P19021 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
Ethylene SCHEMBL11703429 0.85 PPARA (0.44) HTR2APPARAPPARDPPARGRELA
Cinnamic Aldehyde SCHEMBL3159939 0.82 LMNA (0.60) HTR2APPARAPPARDPPARGRELA
Benzaldehyde SCHEMBL367504 0.81 ALDH1A1 (0.54) PPARAPPARDPPARGRELALMNA
SCHEMBL1817496 0.80 PAM (0.56) HTR2AIDO1PAMLMNA
SCHEMBL95863 0.80 PAM (0.56) HTR2AIDO1PAMLMNA
Benzaldehyde SCHEMBL11346796 0.78 ALDH1A1 (0.50) PPARAPPARDPPARGRELALMNA
Cinnamic Aldehyde SCHEMBL5515601 0.77 ALDH1A1 (0.53) PPARAPPARDPPARGRELALMNA
SCHEMBL14312252 0.77 PAM (0.52) HTR2ARELAIDO1PAMLMNA
SCHEMBL14312254 0.77 PAM (0.52) HTR2ARELAIDO1PAMLMNA
SCHEMBL14312251 0.77 PAM (0.52) HTR2ARELAIDO1PAMLMNA

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
US-4209644-A PERFUMES TEIJIN LIMITED (JP) 1980-06-24 US disclosed