SCHEMBL7100415

SCHEMBL7100415

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.45
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.41
DGKA P23743 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
EPHX1 P07099 1/20 0.38
ACHE P22303 5/20 0.37
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL7100999 0.89 MGAM (0.37) FAAHNAAAALDH1A1DGKATSHR
SCHEMBL7101773 0.88 FAAH (0.44) FAAHNAAAALDH1A1ATMDGKA
SCHEMBL7097752 0.88 FAAH (0.44) FAAHNAAAALDH1A1ATMDGKA
SCHEMBL17057059 0.85 FAAH (0.47) FAAHNAAAALDH1A1ATMDGKA
SCHEMBL6248274 0.84 FAAH (0.46) FAAHNAAAALDH1A1ATMDGKA
SCHEMBL7096535 0.81 MAPT (0.42) FAAHNAAAALDH1A1ATMDGKA
SCHEMBL2945373 0.79 FAAH (0.49) FAAHNAAAALDH1A1ATMDGKA
SCHEMBL27281742 0.79 ALDH1A1 (0.52) NAAAALDH1A1ATMHPGDTSHR
SCHEMBL152233 0.78 ALDH1A1 (0.61) FAAHNAAAALDH1A1ATMDGKA
SCHEMBL28924762 0.78 FAAH (0.47) FAAHNAAAALDH1A1ATMDGKA

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