SCHEMBL7101773

SCHEMBL7101773

CCCCOC(=O)CC(=O)C(F)CCCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
NAAA Q02083 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
EPHX1 P07099 1/20 0.41
ATM Q13315 2/20 0.40
DGKA P23743 1/20 0.39
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RAD52 P43351 1/20 0.38
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 3/20 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
SCHEMBL7097752 0.93 FAAH (0.44) FAAHNAAAALDH1A1MAPTCA1
SCHEMBL7096535 0.93 MAPT (0.42) FAAHNAAAALDH1A1MAPTCA1
SCHEMBL6244751 0.88 GAA (0.48) FAAHALDH1A1MAPTCA1CA2
SCHEMBL7100415 0.88 FAAH (0.45) FAAHNAAAALDH1A1CA1CA2
SCHEMBL7100091 0.84 MAPT (0.46) MAPTCA1CA2ATMTSHR
SCHEMBL17057059 0.84 FAAH (0.47) FAAHNAAAALDH1A1EPHX1ATM
SCHEMBL7103448 0.83 TSHR (0.41) ALDH1A1MAPTCA1CA2ATM
SCHEMBL6248274 0.82 FAAH (0.46) FAAHNAAAALDH1A1EPHX1ATM
SCHEMBL7097263 0.82 MGAM (0.35) FAAHNAAAALDH1A1MAPTCA1
SCHEMBL7100404 0.79 LMNA (0.49) FAAHMAPTCA1CA2ATM

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