SCHEMBL7096535

SCHEMBL7096535

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FAAH O00519 2/20 0.40
NAAA Q02083 1/20 0.39
DGKA P23743 1/20 0.39
EPHX1 P07099 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CES2 O00748 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ACHE P22303 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RAD52 P43351 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
DNM1 Q05193 1/20 0.33

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
SCHEMBL7101773 0.93 FAAH (0.44) MAPTCA1CA2FAAHNAAA
SCHEMBL7097263 0.89 MGAM (0.35) MAPTCA1CA2FAAHNAAA
SCHEMBL6244751 0.88 GAA (0.48) MAPTCA1CA2FAAHEPHX1
SCHEMBL7097752 0.86 FAAH (0.44) MAPTCA1CA2FAAHNAAA
SCHEMBL7100999 0.84 MGAM (0.37) CA1CA2FAAHNAAADGKA
SCHEMBL7100091 0.84 MAPT (0.46) MAPTCA1CA2CYP3A4TSHR
SCHEMBL7103448 0.83 TSHR (0.41) MAPTCA1CA2DGKACYP3A4
SCHEMBL7100415 0.81 FAAH (0.45) CA1CA2FAAHNAAADGKA
SCHEMBL28924679 0.80 CES2 (0.41) FAAHNAAADGKATSHRTDP1
SCHEMBL7100404 0.79 LMNA (0.49) MAPTCA1CA2FAAHCYP3A4

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