SCHEMBL12835864

SCHEMBL12835864

C=CC(=O)OCCOc1ccccc1C(CC)c1cccc(C(C)(CC)c2ccccc2OCCOC(=O)C=C)c1OCCOC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.42
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGES O14684 2/20 0.32
ALOX5 P09917 2/20 0.32
PPARG P37231 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRA P10827 1/20 0.31
CYSLTR2 Q9NS75 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL12835863 0.90 THRB (0.40) THRBALDH1A1KDM4EGAAMAPT
SCHEMBL12835867 0.86 LMNA (0.35) THRBKDM4EMAPTMEN1KMT2A
SCHEMBL9601232 0.84 THRB (0.58) THRBALDH1A1KDM4EMAPTMEN1
SCHEMBL12808590 0.79 LMNA (0.34) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL29884378 0.77 THRB (0.57) THRBALDH1A1KDM4EGAAMAPT
SCHEMBL9064602 0.77 THRB (0.57) THRBALDH1A1KDM4EGAAMAPT
SCHEMBL20717885 0.76 THRB (0.49) THRBALDH1A1KDM4EGAAMAPT
SCHEMBL12835871 0.76 ALDH1A1 (0.32) THRBALDH1A1KDM4EGAAMAPT
SCHEMBL3025711 0.74 THRB (0.57) THRBALDH1A1KDM4EGAAMAPT
SCHEMBL10437471 0.72 THRB (0.57) THRBALDH1A1KDM4EMEN1KMT2A

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
WO-2011027902-A1 BARRIER LAMINATE, GAS BARRIER FILM AND METHOD FOR MANUFACTURING THE BARRIER LAMINATE FUJIFILM CORPORATION (JP) 2011-03-10 WO disclosed