SCHEMBL11035853

SCHEMBL11035853

CCOC(=O)C1=C(C(F)(F)F)NC(C(F)(F)F)=C(C(=O)OCC)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
MAPT P10636 2/20 0.61
ALOX15 P16050 1/20 0.61
ADORA2B P29275 2/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 5/20 0.38
HTT P42858 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
AGTR1 P30556 1/20 0.37
HDAC4 P56524 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL3412296 0.81 KDM4E (0.46) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL9726323 0.78 ADORA2B (0.50) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL9726284 0.77 KDM4E (0.62) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL9548196 0.77 KDM4E (0.72) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL95164 0.76 KDM4E (1.00) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL9726347 0.76 ADORA2B (0.48) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL10509439 0.75 ADORA2B (0.50) KDM4EMAPTADORA2BLMNAALDH1A1
SCHEMBL20654739 0.73 KDM4E (0.67) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL9726271 0.72 ALDH1A1 (0.64) KDM4EMAPTADORA2BLMNAALDH1A1
SCHEMBL10507556 0.72 ADORA2B (0.48) KDM4EMAPTADORA2BLMNAALDH1A1

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-0135491-A1 Herbicidal 2,6-bis-fluoromethyl-dihydropyridine-3,5-dicarboxylic acid esters MONSANTO COMPANY (US) 1985-03-27 EP disclosed