SCHEMBL7418490

SCHEMBL7418490

Cc1ccc(C(=O)Cl)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.49
PDE4D Q08499 11/20 0.49
PDE4A P27815 9/20 0.49
PDE4C Q08493 9/20 0.49
OPRK1 P41145 1/20 0.48
MAPK14 Q16539 1/20 0.46
EPHX2 P34913 1/20 0.46
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44

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
SCHEMBL17895369 0.86 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7420849 0.86 PDE4B (0.57) PDE4BPDE4DPDE4APDE4COPRK1
SCHEMBL23792952 0.85 PDE4B (0.56) PDE4BPDE4DPDE4APDE4COPRK1
SCHEMBL27471911 0.85 PDE4B (0.59) PDE4BPDE4DPDE4APDE4COPRK1
SCHEMBL71331 0.84 PDE4D (0.65) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7336558 0.82 PDE4D (0.64) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7415351 0.82 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7420388 0.82 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7355954 0.81 PDE4D (0.43) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL23792967 0.80 PDE4B (0.49) PDE4BPDE4DPDE4APDE4COPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO disclosed