SCHEMBL14923401

SCHEMBL14923401

CC(C)c1cccc(-c2cc(-c3cc4ccccc4o3)c3ccc4c(-c5cccc6ccccc56)cc(-c5cc6ccccc6o5)c5ccc2c3c54)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
MAOA P21397 3/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
RAB9A P51151 1/20 0.38
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NPC1 O15118 1/20 0.35
PDE4D Q08499 1/20 0.35
AHR P35869 2/20 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
SCHEMBL13229147 0.86 MAOB (0.51) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL13229093 0.86 MAOB (0.51) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL13229186 0.83 CYP26B1 (0.40) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL13229157 0.83 MAOB (0.45) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL13229054 0.82 MAOA (0.48) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL13229170 0.80 MAOB (0.39) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL13229131 0.78 MAOB (0.46) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL13229145 0.78 KMT2A (0.49) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL19497661 0.78 KMT2A (0.54) MAOBMAOAKMT2AMEN1RAB9A
SCHEMBL13953716 0.78 KMT2A (0.54) MAOBMAOAKMT2AMEN1RAB9A

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-2028249-B1 MATERIAL FOR LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2013-05-08 EP disclosed