SCHEMBL12145488

SCHEMBL12145488

NCCCOCCOCCCCO

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
ODC1 P11926 1/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LOX P28300 1/20 0.34
AOC3 Q16853 1/20 0.34
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.30

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
SCHEMBL12738224 0.97 GAA (0.47) GAAMEN1KMT2ATHRBHTT
SCHEMBL817143 0.97 GAA (0.47) GAAMEN1KMT2ATHRBHTT
SCHEMBL4265811 0.97 GAA (0.47) GAAMEN1KMT2ATHRBHTT
SCHEMBL196977 0.95 GAA (0.50) GAAMEN1KMT2ATHRBHTT
1,4-Butanediol SCHEMBL5914577 0.95 GAA (0.43) GAAMEN1KMT2ATHRBHTT
1,4-Butanediol SCHEMBL1524575 0.95 GAA (0.43) GAAMEN1KMT2ATHRBHTT
SCHEMBL14191945 0.92 GAA (0.42) GAAMEN1KMT2ATHRBHTT
SCHEMBL7287703 0.92 GAA (0.47) GAAMEN1KMT2ATHRBHTT
Hydrochloric Acid SCHEMBL25377517 0.90 MEN1 (0.43) GAAMEN1KMT2ATHRBHTT
SCHEMBL7287395 0.90 GAA (0.50) GAAMEN1KMT2ATHRBHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8646616-B2 Composite membrane with coating comprising polyalkylene oxide and imidazol compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2014-02-11 US disclosed
US-20110284454-A1 COMPOSITE MEMBRANE WITH COATING COMPRISING POLYALKYLENE OXIDE AND IMIDAZOL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC 2011-11-24 US disclosed