SCHEMBL7097263

SCHEMBL7097263

CCCOC(=O)CC(=O)C(F)CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
FAAH O00519 2/20 0.35
ALDH1A1 P00352 5/20 0.33
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33
MAPT P10636 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
EPHX1 P07099 1/20 0.32
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
PLK1 P53350 1/20 0.31

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
SCHEMBL7097752 0.89 FAAH (0.44) FAAHALDH1A1NAAADGKAMAPT
SCHEMBL7096535 0.89 MAPT (0.42) MGAMGAASIMGAM2FAAH
SCHEMBL7100999 0.87 MGAM (0.37) MGAMGAASIMGAM2FAAH
SCHEMBL7097454 0.87 GAA (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7097418 0.82 MGAM (0.39) MGAMGAASIMGAM2MAPT
SCHEMBL28924679 0.82 CES2 (0.41) MGAMGAASIMGAM2FAAH
SCHEMBL7101777 0.82 TSHR (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7101773 0.82 FAAH (0.44) FAAHALDH1A1NAAADGKAMAPT
SCHEMBL7100929 0.81 MGAM (0.38) MGAMGAASIMGAM2FAAH
SCHEMBL7101885 0.78 LMNA (0.43) GAAFAAHALDH1A1MAPTHDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038861-B1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2003-09-03 EP disclosed
US-6593488-B1 Reacting 2-fluorocarboxylate with carboxylate UBE INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
EP-1038861-A1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES LIMITED (JP) 2000-09-27 EP disclosed