SCHEMBL8201326

SCHEMBL8201326

CCOC(=O)OC1CC=CC(CN2C(=O)c3ccccc3C2=O)C1OC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 1/20 0.37
GAA P10253 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PIN1 Q13526 1/20 0.34
PIN4 Q9Y237 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
SCHEMBL8528965 0.76 ALDH1A1 (0.43) L3MBTL1ALDH1A1KMT2AMEN1HPGD
SCHEMBL29783340 0.70 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1HPGDPIN1
SCHEMBL20717240 0.70 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1HPGDPIN1
SCHEMBL8089749 0.67 ALDH1A1 (0.47) L3MBTL1ALDH1A1KMT2AMEN1GAA
SCHEMBL15265352 0.65 ALDH1A1 (0.60) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL11453331 0.63 ALDH1A1 (0.77) L3MBTL1ALDH1A1KMT2AMEN1PIN1
SCHEMBL12471113 0.63 L3MBTL1 (0.48) L3MBTL1ALDH1A1KMT2AMEN1HPGD
SCHEMBL3785359 0.62 ALDH1A1 (0.46) L3MBTL1ALDH1A1KMT2AMEN1HPGD
SCHEMBL3777633 0.62 ALDH1A1 (0.48) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL30862418 0.62 ADORA3 (0.54) L3MBTL1ALDH1A1KMT2AMEN1HPGD

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