SCHEMBL20064241

SCHEMBL20064241

C=Cc1ccc(OC(F)F)c(OC2CCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.48
PDE4B Q07343 11/20 0.47
PDE4A P27815 5/20 0.47
PDE4C Q08493 4/20 0.47

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
SCHEMBL31619159 0.97 PDE4D (0.51) PDE4DPDE4BPDE4APDE4C
SCHEMBL5759440 0.87 PDE4D (0.51) PDE4DPDE4BPDE4APDE4C
SCHEMBL31619151 0.85 PDE4D (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL498509 0.85 PDE4D (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL3122679 0.82 TRPA1 (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL5758960 0.82 DRD1 (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL28806357 0.79 PDE4D (0.47) PDE4DPDE4BPDE4APDE4C
SCHEMBL17003829 0.79 PDE4D (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL17003826 0.79 PDE4D (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL31590778 0.79 PDE4B (0.57) PDE4DPDE4BPDE4APDE4C

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-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed