SCHEMBL8200872

SCHEMBL8200872

CCOC(=O)OC1C(C)C=CC2CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
JAK3 P52333 1/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
SSTR4 P31391 1/20 0.32
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
GPR119 Q8TDV5 3/20 0.31
RORC P51449 4/20 0.31
ADORA1 P30542 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8200316 0.82 NR1H2 (0.37) NR1H2JAK3NAMPTMEN1ALDH1A1
SCHEMBL8096624 0.79 JAK3 (0.37) NR1H2JAK3NAMPTMEN1ALDH1A1
SCHEMBL8083194 0.74 NR1H2 (0.40) NR1H2NAMPTSSTR4POLBGPR119
SCHEMBL8203269 0.70 NR1H2 (0.37) NR1H2JAK3NAMPTALDH1A1SSTR4
SCHEMBL8092844 0.70 JAK3 (0.39) NR1H2JAK3NAMPTMEN1ALDH1A1
SCHEMBL16252085 0.69 NR1H2 (0.48) NR1H2JAK3NAMPTMEN1ALDH1A1
SCHEMBL15890054 0.69 NR1H2 (0.48) NR1H2JAK3NAMPTMEN1ALDH1A1
SCHEMBL7895461 0.69 NR1H2 (0.48) NR1H2JAK3NAMPTMEN1ALDH1A1
SCHEMBL31554278 0.69 NR1H2 (0.48) NR1H2JAK3NAMPTMEN1ALDH1A1
SCHEMBL12277546 0.69 NR1H2 (0.48) NR1H2JAK3NAMPTMEN1ALDH1A1

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