SCHEMBL2783173

SCHEMBL2783173

CCOc1cccc(C2(c3cccc(OCC)c3O)c3ccccc3-c3ccccc32)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.50
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
GLA P06280 1/20 0.40
IGF1R P08069 1/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
HPGD P15428 2/20 0.38
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
PLG P00747 2/20 0.38
PLAU P00749 2/20 0.38
PLAT P00750 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTPRC P08575 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL4824717 0.81 TP53 (0.52) PDK2ALDH1A1MAPTHPGDESR1
SCHEMBL27968352 0.78 PDK2 (0.45) PDK2ALDH1A1L3MBTL1GAAMAPT
SCHEMBL9825698 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1GLAIGF1RGAA
SCHEMBL674008 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1GLAIGF1RGAA
SCHEMBL4744927 0.75 MEN1 (0.48) PDK2ALDH1A1L3MBTL1GLAGAA
SCHEMBL7577244 0.75 ALDH1A1 (0.51) PDK2ALDH1A1L3MBTL1GLAGAA
SCHEMBL2688233 0.74 ESR1 (0.59) PDK2ALDH1A1GLAGAAMAPT
SCHEMBL4225522 0.73 ALDH1A1 (0.45) ALDH1A1L3MBTL1GLAIGF1RGAA
SCHEMBL1053091 0.73 ALDH1A1 (0.58) ALDH1A1L3MBTL1GLAIGF1RGAA
SCHEMBL4792150 0.71 ALDH1A1 (0.46) PDK2ALDH1A1L3MBTL1MAPTTDP1

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
JP-2010235872-A LIGNIN-CONTAINING COMPOSITE AND METHOD FOR PRODUCING THE SAME OSAKA GAS CO LTD 2010-10-21 JP disclosed