SCHEMBL2387899

SCHEMBL2387899

NCOCC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
HPGD P15428 3/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
GSK3B P49841 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PTPN1 P18031 2/20 0.48
TRPA1 O75762 1/20 0.48
HIF1A Q16665 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL864716 0.87 MAPT (0.61) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL3216220 0.82 L3MBTL1 (0.51) MAPTTDP1HPGDMAPK1SMN1; SMN2
Biphenyl SCHEMBL9787041 0.81 L3MBTL1 (0.58) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL3194897 0.81 TDP1 (0.54) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL3136962 0.81 TDP1 (0.54) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL5854020 0.79 MAPT (0.52) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL5191365 0.79 ALDH1A1 (0.59) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL5027527 0.79 MAPT (0.52) MAPTTDP1HPGDMAPK1SMN1; SMN2
Phenol SCHEMBL11815882 0.79 TDP1 (0.52) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL531300 0.79 NPC1 (0.53) MAPTTDP1HPGDMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8721942-B2 Composite membrane including coating of polyalkylene oxide and acetophenone compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2014-05-13 US disclosed
WO-2011112351-A1 POLYAMIDE MEMBRANE WITH A COATING COMPRISING POLYALKYLENE OXIDE AND ACETOPHENONE COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-15 WO disclosed
US-20110220569-A1 COMPOSITE MEMBRANE INCLUDING COATING OF POLYALKYLENE OXIDE AND ACETOPHENONE COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC 2011-09-15 US disclosed
US-20030170180-A1 Non-lethal chemical weapons BAHARY WILLIAM S (US) 2003-09-11 US disclosed