SCHEMBL28111437

SCHEMBL28111437

COc1ccc(C(=C[C]=O)c2ccc(F)cc2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.59
PDE4B Q07343 14/20 0.59
PDE4C Q08493 14/20 0.59
PDE4D Q08499 14/20 0.59
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 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
SCHEMBL4816601 0.85 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL27570271 0.85 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL8500731 0.85 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL14217141 0.83 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL12182752 0.79 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL12182759 0.79 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL3973496 0.74 CYP1A2 (0.79) CA12CA1CA2CA4CA6
SCHEMBL825369 0.74 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8719068 0.74 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL8719072 0.74 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108164050-A For the electromagnetism chemistry system for handling and its method for treating water of circulating water treatment 南京楚卿电子科技有限公司 2018-06-15 CN claimed
CN-108126615-A The Preparation equipment of efficient water process liquid and its application 南京楚卿电子科技有限公司 2018-06-08 CN claimed
CN-108164050-A For the electromagnetism chemistry system for handling and its method for treating water of circulating water treatment 南京楚卿电子科技有限公司 2018-06-15 CN disclosed
CN-108126615-A The Preparation equipment of efficient water process liquid and its application 南京楚卿电子科技有限公司 2018-06-08 CN disclosed
CN-106452100-A Three-level photovoltaic grid-connected inverter based on DSP control and working method of three-level photovoltaic grid-connected inverter 江苏建筑职业技术学院 2017-02-22 CN disclosed