SCHEMBL2363529

SCHEMBL2363529

O=C(O)c1ccc(OC(F)F)cc1OCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.50
PDE4D Q08499 9/20 0.50
PDE4A P27815 8/20 0.50
PDE4C Q08493 8/20 0.50
PARP10 Q53GL7 4/20 0.44
PARP15 Q460N3 3/20 0.44
ABCB11 O95342 1/20 0.43
PARP2 Q9UGN5 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL16447382 0.88 PARP10 (0.58) PDE4BPDE4DPDE4APDE4CPARP10
SCHEMBL6460615 0.88 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CPARP10
SCHEMBL17204380 0.83 PARP15 (0.55) PDE4BPDE4DPDE4APDE4CPARP10
SCHEMBL30476625 0.83 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CPARP10
SCHEMBL17204413 0.82 KDM4E (0.52) PDE4BPARP10PARP15PARP2SMN1; SMN2
SCHEMBL17908054 0.80 MEN1 (0.55) MRGPRX4MEN1KMT2ASMN1; SMN2
SCHEMBL20053762 0.80 NR1H4 (0.52) PDE4BPDE4DPDE4APDE4CPARP10
SCHEMBL17204548 0.80 ESR1 (0.48) PARP10PARP15PARP2
SCHEMBL8901981 0.79 PARP10 (0.68) PDE4BPDE4DPDE4APDE4CPARP10
SCHEMBL6456302 0.78 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4742026-B2 2011-08-10 JP claimed
EP-1606261-A1 NOVEL PROCESS FOR THE PREPARATION OF ROFLUMILAST ALTANA Pharma AG (DE) 2005-12-21 EP claimed
WO-2004080967-A1 NOVEL PROCESS FOR THE PREPARATION OF ROFLUMILAST ALTANA PHARMA AG (DE) 2004-09-23 WO claimed
EP-1606261-A1 NOVEL PROCESS FOR THE PREPARATION OF ROFLUMILAST ALTANA Pharma AG (DE) 2005-12-21 EP disclosed
WO-2004080967-A1 NOVEL PROCESS FOR THE PREPARATION OF ROFLUMILAST ALTANA PHARMA AG (DE) 2004-09-23 WO disclosed