SCHEMBL8719072

SCHEMBL8719072

COc1ccc(C(=CC(=O)N(C)OC)c2ccc(F)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
NFE2L2 Q16236 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 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
SCHEMBL8719068 1.00 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8722564 0.91 TSHR (0.51) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8722200 0.91 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL9127287 0.87 ABCG2 (0.54) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL9127284 0.87 ABCG2 (0.54) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL12182759 0.82 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL12182752 0.82 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL14217141 0.77 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9367554 0.74 CA12 (0.62) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL28111437 0.74 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1

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