SCHEMBL3660767

SCHEMBL3660767

C#CCCCOc1cccc(N(C)C(=O)OC(C)(C)C)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOA P21397 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
ABL1 P00519 2/20 0.33
P2RX3 P56373 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SSTR4 P31391 1/20 0.31
SCN9A Q15858 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
LIPE Q05469 1/20 0.31
PDK2 Q15119 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL3659957 0.85 KDM4E (0.40) KDM4EALDH1A1MAOAHDAC1HDAC2
SCHEMBL921790 0.79 RPS6KA1 (0.48) KDM4EALDH1A1KCNQ4KCNQ5L3MBTL1
SCHEMBL3759765 0.73 L3MBTL1 (0.36) KDM4EALDH1A1KCNQ4KCNQ5L3MBTL1
SCHEMBL3662575 0.73 ALOX15 (0.42) ALDH1A1HDAC6
SCHEMBL3658206 0.73 BRD4 (0.37) ABL1P2RX3SSTR4BRD4
SCHEMBL4279289 0.72 PDE10A (0.46) KDM4EL3MBTL1
SCHEMBL3659959 0.71 KDM4E (0.37) KDM4EALDH1A1GRM2
SCHEMBL3661690 0.70 ALOX15 (0.41) ALDH1A1HDAC6
SCHEMBL3655615 0.70 ALOX15 (0.40) ALDH1A1HDAC6MAOB
SCHEMBL3662163 0.70 ALOX15 (0.40) ALDH1A1HDAC6MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215062-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
WO-2009069792-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 WO disclosed