SCHEMBL9726284

SCHEMBL9726284

CCOC(=O)C1=C(C(F)(F)F)NC(C(F)(F)F)=C(C(=O)OCC)C1C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 5/20 0.50
HTT P42858 3/20 0.50
ADORA2B P29275 4/20 0.49
GAA P10253 4/20 0.49
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MTOR P42345 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9726323 0.86 ADORA2B (0.50) KDM4ELMNAALDH1A1HTTADORA2B
SCHEMBL10509439 0.86 ADORA2B (0.50) KDM4ELMNAALDH1A1HTTADORA2B
SCHEMBL10507556 0.83 ADORA2B (0.48) KDM4ELMNAALDH1A1HTTADORA2B
SCHEMBL9726351 0.83 ADORA2B (0.45) KDM4ELMNAALDH1A1HTTADORA2B
SCHEMBL9726347 0.83 ADORA2B (0.48) KDM4ELMNAALDH1A1HTTADORA2B
SCHEMBL9726271 0.83 ALDH1A1 (0.64) KDM4ELMNAALDH1A1HTTADORA2B
SCHEMBL9726279 0.82 ADORA2B (0.47) KDM4ELMNAALDH1A1HTTADORA2B
SCHEMBL10507774 0.81 ADORA2B (0.46) KDM4ELMNAALDH1A1HTTADORA2B
SCHEMBL10508024 0.81 ADORA2B (0.46) KDM4ELMNAALDH1A1HTTADORA2B
SCHEMBL10509646 0.81 ALDH1A1 (0.53) KDM4ELMNAALDH1A1HTTADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142055-A Dehydrofluorinating reduced fluoroalkyl pyridine compound MONSANTO COMPANY (US) 1992-08-25 US disclosed
EP-0133612-B1 SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS MONSANTO COMPANY (US) 1991-02-27 EP disclosed
US-4826530-A PREEEMERGENCE AND SELECTIVE POSTEMEREGENCE HERBICIDES MONSANTO COMPANY (US) 1989-05-02 US disclosed
EP-0135491-B1 HERBICIDAL 2,6-BIS-FLUOROMETHYL-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID ESTERS MONSANTO COMPANY (US) 1989-01-25 EP disclosed
US-4692184-A HERBICIDES MONSANTO COMPANY (US) 1987-09-08 US disclosed
EP-0133612-A2 Substituted 2,6-substituted pyridine compounds MONSANTO COMPANY (US) 1985-02-27 EP disclosed