SCHEMBL8206286

SCHEMBL8206286

C/C=C/C=C/CNC/C=C/C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
HCAR2 Q8TDS4 1/20 0.43
ALDH1A1 P00352 3/20 0.40
LMNA P02545 4/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37
TTR P02766 1/20 0.36
DPP4 P27487 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MDM2 Q00987 1/20 0.34
CYP3A4 P08684 1/20 0.34
TP53 P04637 1/20 0.34
XBP1 P17861 1/20 0.34
AGTR1 P30556 1/20 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
SCHEMBL8206235 0.83 MAPT (0.47) MAPTHCAR2ALDH1A1LMNAMAPK1
SCHEMBL30154063 0.80 MAPT (0.55) MAPTHCAR2ALDH1A1LMNAMAPK1
SCHEMBL28320431 0.80 MAPT (0.55) MAPTHCAR2ALDH1A1LMNAMAPK1
SCHEMBL345935 0.78 HCAR2 (0.56) MAPTHCAR2ALDH1A1LMNAMAPK1
SCHEMBL28251620 0.78 HCAR2 (0.56) MAPTHCAR2ALDH1A1LMNAMAPK1
SCHEMBL345936 0.78 HCAR2 (0.56) MAPTHCAR2ALDH1A1LMNAMAPK1
SCHEMBL11792235 0.78 HCAR2 (0.56) MAPTHCAR2ALDH1A1LMNAMAPK1
SCHEMBL9461830 0.77 MAPT (0.51) MAPTHCAR2ALDH1A1LMNAMAPK1
SCHEMBL9461829 0.77 MAPT (0.51) MAPTHCAR2ALDH1A1LMNAMAPK1
SCHEMBL8091035 0.77 CNR2 (0.38) HCAR2ALDH1A1LMNANPSR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682030-B1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 2000-07-05 EP disclosed
EP-0647644-B1 Antibacterial pyrido 1,2,3-d,e 1,3,4 benzoxacin derivatives BAYER AG (DE) 1997-11-05 EP disclosed
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
EP-0682030-A1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 1995-11-15 EP disclosed
EP-0647644-A1 Antibacterial pyrido 1,2,3-d,e 1,3,4 benzoxacin derivatives BAYER AG (DE) 1995-04-12 EP disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed