SCHEMBL7100091

SCHEMBL7100091

CCCCC(F)C(=O)CC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CA2 P00918 6/20 0.44
CA1 P00915 4/20 0.44
POLB P06746 1/20 0.40
POLA1 P09884 1/20 0.40
CES2 O00748 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
TSHR P16473 3/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7097418 0.88 MGAM (0.39) MAPTCA2CA1POLBPOLA1
SCHEMBL6244751 0.85 GAA (0.48) MAPTCA2CA1POLBCES2
SCHEMBL7101773 0.84 FAAH (0.44) MAPTCA2CA1TSHRHPGD
SCHEMBL7096535 0.84 MAPT (0.42) MAPTCA2CA1CES2ZDHHC7
SCHEMBL7100404 0.84 LMNA (0.49) MAPTCA2CA1CES2TSHR
SCHEMBL7103448 0.81 TSHR (0.41) MAPTCA2CA1CES2ZDHHC7
SCHEMBL7099707 0.79 MGAM (0.42) CA2CA1POLBPOLA1CES2
SCHEMBL11311824 0.78 CA2 (0.59) MAPTCA2CA1CES2ZDHHC7
SCHEMBL7948592 0.78 CA2 (0.59) MAPTCA2CA1CES2ZDHHC7
SCHEMBL7948589 0.78 CA2 (0.59) MAPTCA2CA1CES2ZDHHC7

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