SCHEMBL4594035

SCHEMBL4594035

NC(=O)c1cccc(OC(F)F)c1OCC1CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.45
PDE4D Q08499 7/20 0.45
PDE4A P27815 6/20 0.45
PDE4C Q08493 6/20 0.45
PARP10 Q53GL7 4/20 0.43
PARP15 Q460N3 3/20 0.43
PARP2 Q9UGN5 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
IRAK4 Q9NWZ3 4/20 0.40
ABCB11 O95342 1/20 0.39

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
SCHEMBL23835159 0.80 PARP10 (0.52) PARP10PARP15PARP2SIRT2IRAK4
SCHEMBL28164154 0.80 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL14147396 0.79 PARP1 (0.51) SIRT2
SCHEMBL6456302 0.78 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL28324547 0.77 PARP15 (0.50) PDE4BPDE4DPDE4APDE4CPARP10
SCHEMBL4429839 0.77 PDE4B (0.45) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5033170 0.77 PDE4D (0.47) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL874503 0.77 PDE4D (0.41) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL6877898 0.77 PDE4B (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL16447382 0.76 PARP10 (0.58) PDE4BPDE4DPDE4APDE4CPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898894-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2008-03-19 EP claimed
WO-2006134022-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 WO claimed