SCHEMBL8201372

SCHEMBL8201372

CCOC(=O)OC1CC=CC2CNCC21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
MEN1 O00255 4/20 0.31
POLB P06746 4/20 0.31
KMT2A Q03164 4/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MASP2 O00187 1/20 0.30
GAPDH P04406 1/20 0.30
HSPA1A P0DMV8 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HSPA8 P11142 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
NR4A1 P22736 1/20 0.30
DUSP1 P28562 1/20 0.30
PTPN7 P35236 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
SCHEMBL8083136 0.77 MAPT (0.39) ALDH1A1MEN1POLBKMT2AL3MBTL1
SCHEMBL7851192 0.74 NFKB1 (0.39) ALDH1A1CYP2C19MEN1POLBKMT2A
SCHEMBL8693428 0.74 NFKB1 (0.39) ALDH1A1CYP2C19MEN1POLBKMT2A
SCHEMBL7851194 0.74 NFKB1 (0.39) ALDH1A1CYP2C19MEN1POLBKMT2A
SCHEMBL7851189 0.74 NFKB1 (0.39) ALDH1A1CYP2C19MEN1POLBKMT2A
SCHEMBL8693432 0.74 NFKB1 (0.39) ALDH1A1CYP2C19MEN1POLBKMT2A
SCHEMBL8084531 0.73 ALDH1A1 (0.37) ALDH1A1CYP2C19MEN1KMT2AL3MBTL1
SCHEMBL8089773 0.73
SCHEMBL8200316 0.70 NR1H2 (0.37) ALDH1A1MEN1POLBKMT2AGAA
SCHEMBL8908962 0.68 NFKB1 (0.36) ALDH1A1CYP2C19MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP claimed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP claimed
EP-0770083-B1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AG (DE) 2000-08-30 EP disclosed
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-0770083-A1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AG (DE) 1997-05-02 EP disclosed
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
WO-1996001829-A1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-25 WO disclosed
EP-0684244-A1 1,9-bridged thiazolo(3,2-a)quinoline derivatives BAYER AG (DE) 1995-11-29 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