SCHEMBL28094069

SCHEMBL28094069

O=C(CC12CC3CC(C1)C(O)C(C3)C2O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
FAAH O00519 1/20 0.38
EPHX2 P34913 2/20 0.37
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CES1 P23141 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1397704 0.73 P2RX7 (0.53) P2RX7FAAHEPHX2ALDH1A1MAPT
SCHEMBL28093665 0.70 P2RX7 (0.61) P2RX7FAAHEPHX2ALDH1A1MAPT
SCHEMBL28092829 0.67 GAA (0.38) P2RX7FAAHEPHX2HSD11B1ALDH1A1
SCHEMBL27839785 0.65 FAAH (0.39) P2RX7FAAHEPHX2HSD11B1ALDH1A1
SCHEMBL28091187 0.64
SCHEMBL3510746 0.64 ALDH1A1 (0.40) P2RX7EPHX2HSD11B1ALDH1A1MEN1
SCHEMBL13276034 0.62 FAAH (0.53) P2RX7FAAHEPHX2HSD11B1ALDH1A1
SCHEMBL7813283 0.62 HSD11B1 (0.44) P2RX7FAAHEPHX2HSD11B1ALDH1A1
SCHEMBL28094062 0.61 HSD11B1 (0.55) P2RX7EPHX2HSD11B1ALDH1A1MAPT
SCHEMBL4483491 0.61 NR4A2 (0.50) P2RX7FAAHEPHX2HSD11B1ALDH1A1

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-106220600-A Flavone derivatives and its production and use 厦门大学 2016-12-14 CN disclosed