SCHEMBL13586804

SCHEMBL13586804

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(C)NC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
MAPK1 P28482 1/20 0.67
HSP90AA1 P07900 1/20 0.57
DNM1 Q05193 1/20 0.54
PLA2G10 O15496 2/20 0.50
NOD1 Q9Y239 1/20 0.50
PLA2G2C Q5R387 1/20 0.50
ASAH2 Q9NR71 1/20 0.49
ALDH1A1 P00352 1/20 0.48
ASAH1 Q13510 1/20 0.48
ACER2 Q5QJU3 1/20 0.48
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
CPT1B Q92523 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL16142527 0.92 FAAH (0.55) FAAHKMT2AMEN1MAPK1HSP90AA1
SCHEMBL2146114 0.92 FAAH (0.77) FAAHKMT2AMEN1MAPK1HSP90AA1
SCHEMBL7782614 0.85 FAAH (0.71) FAAHKMT2AMEN1MAPK1HSP90AA1
SCHEMBL10340435 0.85 FAAH (0.71) FAAHKMT2AMEN1MAPK1HSP90AA1
SCHEMBL8772877 0.82 FAAH (0.66) FAAHKMT2AMEN1MAPK1ASAH2
SCHEMBL12459875 0.80 FAAH (1.00) FAAHKMT2AMEN1MAPK1HSP90AA1
SCHEMBL277126 0.80 FAAH (1.00) FAAHKMT2AMEN1MAPK1HSP90AA1
Hexadecanoic Acid Isopropylamide SCHEMBL1457147 0.80 FAAH (1.00) FAAHKMT2AMEN1MAPK1HSP90AA1
SCHEMBL4023787 0.80 FAAH (1.00) FAAHKMT2AMEN1MAPK1HSP90AA1
SCHEMBL1456463 0.80 FAAH (1.00) FAAHKMT2AMEN1MAPK1HSP90AA1

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
US-7625956-B2 Phase change inks containing photoinitiator with phase change properties and gellant affinity XEROX CORPORATION (US) 2009-12-01 US disclosed