SCHEMBL17355377

SCHEMBL17355377

O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.61
MAOA P21397 4/20 0.61
BCHE P06276 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
PTGS2 P35354 3/20 0.54
PTGS1 P23219 1/20 0.54
APP P05067 1/20 0.53
GAA P10253 1/20 0.53
CYP1B1 Q16678 1/20 0.53
FBP1 P09467 1/20 0.51
HSPD1 P10809 1/20 0.51
HSPE1 P61604 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL15367534 1.00 MAOB (0.61) MAOBMAOABCHEKMT2AMEN1
SCHEMBL9523424 1.00 MAOB (0.61) MAOBMAOABCHEKMT2AMEN1
SCHEMBL5315888 1.00 MAOB (0.61) MAOBMAOABCHEKMT2AMEN1
SCHEMBL9524097 0.94 KMT2A (0.66) MAOBMAOABCHEKMT2AMEN1
SCHEMBL9524094 0.94 KMT2A (0.66) MAOBMAOABCHEKMT2AMEN1
SCHEMBL10744598 0.93 KMT2A (0.64) MAOBMAOABCHEKMT2AMEN1
SCHEMBL16024199 0.93 MAOB (0.61) MAOBMAOABCHEKMT2AGAA
SCHEMBL9478343 0.93 MAOB (0.73) MAOBMAOAKMT2AMEN1PTGS2
SCHEMBL10744603 0.93 KMT2A (0.64) MAOBMAOABCHEKMT2AMEN1
SCHEMBL9522518 0.93 MAOB (0.66) MAOBMAOABCHEKMT2AMEN1

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
EP-2957610-A1 DEBONDABLE ADHESIVE COMPOSITION NITTO DENKO CORPORATION (JP) 2015-12-23 EP disclosed