SCHEMBL8094774

SCHEMBL8094774

CC(C)(C)OC(=O)NCC1CC=CC2CNCC21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ACACB O00763 4/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
GFER P55789 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD2 P14416 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
EPHX2 P34913 1/20 0.32
ACACA Q13085 3/20 0.31
FPR3 P25089 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
SCHEMBL8907766 0.93 ALDH1A1 (0.35) EPHX1TDP1ACACBMEN1GAA
SCHEMBL8094739 0.79 NFKB1 (0.40) EPHX1GAANFKB1NFKB2RELA
SCHEMBL8091180 0.78 CASP1 (0.31)
SCHEMBL4641768 0.77 TDP1 (0.43) EPHX1TDP1ACACBMEN1GAA
SCHEMBL4641778 0.77 TDP1 (0.43) EPHX1TDP1ACACBMEN1GAA
SCHEMBL29248620 0.77 TDP1 (0.43) EPHX1TDP1ACACBMEN1GAA
SCHEMBL4641773 0.77 TDP1 (0.43) EPHX1TDP1ACACBMEN1GAA
SCHEMBL8908962 0.75 NFKB1 (0.36) EPHX1MEN1GAAKMT2ANFKB1
SCHEMBL25222143 0.74 TDP1 (0.41) EPHX1TDP1ACACBMEN1GAA
SCHEMBL15240187 0.74 TDP1 (0.41) EPHX1TDP1ACACBMEN1GAA

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 14 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
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
EP-0647644-B1 Antibacterial pyrido 1,2,3-d,e 1,3,4 benzoxacin derivatives BAYER AG (DE) 1997-11-05 EP disclosed
US-5618815-A ANTIBACTERIAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-08 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
US-5508278-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US 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