SCHEMBL8722200

SCHEMBL8722200

CCOc1cc(C(=CC(=O)N(C)OC)c2ccc(F)cc2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.50
PDE4B Q07343 17/20 0.50
PDE4C Q08493 17/20 0.50
PDE4D Q08499 17/20 0.50
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL8722564 0.96 TSHR (0.51) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL8719072 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL8719068 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL9127284 0.79 ABCG2 (0.54) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL9127287 0.79 ABCG2 (0.54) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL4826027 0.77 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4819418 0.77 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4181181 0.77 MAPK1 (0.60) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL27702999 0.77 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4817920 0.76 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DMAPK1

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
EP-0860438-A1 Fluorine-containing diphenyl acrylamide antimicrobial agents Shenyang Research Institute of Chemical Industry (CN) 1998-08-26 EP disclosed