SCHEMBL11527633

SCHEMBL11527633

CCCCCCCCCCCCCCCCCC(=O)NC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
FAAH O00519 8/20 0.52
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
DGKA P23743 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL845247 0.92 ALDH1A1 (0.47) HSP90AA1FAAHGAAMEN1KMT2A
SCHEMBL6644483 0.87 GAA (0.49) HSP90AA1FAAHGAAMEN1KMT2A
SCHEMBL7440483 0.85 EPHX1 (0.53) HSP90AA1FAAHMEN1MAPK1KMT2A
SCHEMBL30957387 0.84 EPHX1 (0.54) HSP90AA1FAAHDGKAEPHX1
SCHEMBL30957341 0.84 EPHX1 (0.54) HSP90AA1FAAHDGKAEPHX1
SCHEMBL30957390 0.84 EPHX1 (0.54) HSP90AA1FAAHDGKAEPHX1
SCHEMBL11779852 0.84 HSP90AA1 (0.57) HSP90AA1FAAHMEN1MAPK1KMT2A
SCHEMBL29111627 0.84 HSP90AA1 (0.57) HSP90AA1FAAHMEN1MAPK1KMT2A
SCHEMBL28667447 0.84 HSP90AA1 (0.57) HSP90AA1FAAHMEN1MAPK1KMT2A
SCHEMBL29111619 0.84 HSP90AA1 (0.57) HSP90AA1FAAHMEN1MAPK1KMT2A

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-4160077-A Process of crosslinking unsaturated hydrocarbon polymers employing novel carbamates IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-03 US disclosed