SCHEMBL7097752

SCHEMBL7097752

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
NAAA Q02083 1/20 0.43
ALDH1A1 P00352 1/20 0.42
EPHX1 P07099 1/20 0.41
ATM Q13315 1/20 0.40
DGKA P23743 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 4/20 0.36
HCAR2 Q8TDS4 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
SCHEMBL7101773 0.93 FAAH (0.44) FAAHNAAAALDH1A1EPHX1ATM
SCHEMBL7097263 0.89 MGAM (0.35) FAAHNAAAALDH1A1EPHX1DGKA
SCHEMBL7100415 0.88 FAAH (0.45) FAAHNAAAALDH1A1EPHX1ATM
SCHEMBL7096535 0.86 MAPT (0.42) FAAHNAAAALDH1A1EPHX1ATM
SCHEMBL7097454 0.84 GAA (0.52) ALDH1A1ATMMAPT
SCHEMBL17057059 0.84 FAAH (0.47) FAAHNAAAALDH1A1EPHX1ATM
SCHEMBL6248274 0.82 FAAH (0.46) FAAHNAAAALDH1A1EPHX1ATM
SCHEMBL6244751 0.81 GAA (0.48) FAAHALDH1A1EPHX1ATMMAPT
SCHEMBL7097418 0.80 MGAM (0.39) MAPTHPGDTSHRNPSR1CA1
SCHEMBL7101777 0.79 TSHR (0.35) ALDH1A1ATMMAPTTSHRNPSR1

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