SCHEMBL4785647

SCHEMBL4785647

COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3oc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.70
ACHE P22303 1/20 0.70
MAOB P27338 1/20 0.70
KDM4E B2RXH2 2/20 0.70
LMNA P02545 2/20 0.70
MAPT P10636 2/20 0.70
ALDH1A1 P00352 1/20 0.70
HPGD P15428 1/20 0.70
MGAM O43451 5/20 0.62
PLG P00747 1/20 0.59
NOX4 Q9NPH5 1/20 0.59
GAA P10253 1/20 0.59
SI P14410 1/20 0.59
MGAM2 Q2M2H8 1/20 0.59
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
ABCG2 Q9UNQ0 2/20 0.57
ATP1A1 P05023 1/20 0.56
ATP1B1 P05026 1/20 0.56
ACE P12821 1/20 0.56

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
SCHEMBL31197649 0.91 MAOA (0.72) MAOAACHEMAOBKDM4ELMNA
SCHEMBL22325399 0.91 MAOA (0.72) MAOAACHEMAOBKDM4ELMNA
SCHEMBL7933844 0.90 MAOA (0.72) MAOAACHEMAOBKDM4ELMNA
SCHEMBL151859 0.84 MAOA (0.71) MAOAACHEMAOBKDM4ELMNA
SCHEMBL15918251 0.83 MAOA (0.66) MAOAACHEMAOBKDM4ELMNA
SCHEMBL31237273 0.83 MAOA (1.00) MAOAACHEMAOBKDM4ELMNA
SCHEMBL31238429 0.83 MAOA (1.00) MAOAACHEMAOBKDM4ELMNA
SCHEMBL27976593 0.83 MAOA (1.00) MAOAACHEMAOBKDM4ELMNA
SCHEMBL29808497 0.82 MAOA (0.72) MAOAACHEMAOBMGAMGAA
Getiacaulein SCHEMBL27728392 0.82 KDM4E (1.00) MAOAKDM4ELMNAMAPTALDH1A1

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-2008100977-A2 CARBAMATES THERAPEUTIC RELEASE AGENTS AS AMIDASE INHIBITORS N.V. ORGANON (NL) 2008-08-21 WO disclosed