SCHEMBL7100404

SCHEMBL7100404

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.42
FAAH O00519 4/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CTSK P43235 6/20 0.36
CES2 O00748 1/20 0.35
SLC15A1 P46059 1/20 0.34
ALOX15 P16050 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7101885 0.89 LMNA (0.43) LMNAMAPTFAAHCNR1CNR2
SCHEMBL7100091 0.84 MAPT (0.46) LMNAMAPTCA1CA2CES2
SCHEMBL7099334 0.82 LMNA (0.41) LMNAMAPTFAAHCNR1CNR2
SCHEMBL6244751 0.81 GAA (0.48) MAPTFAAHCA1CA2CTSK
SCHEMBL7103448 0.80 TSHR (0.41) LMNAMAPTCA1CA2CTSK
SCHEMBL7096535 0.79 MAPT (0.42) MAPTFAAHCA1CA2CES2
SCHEMBL7101773 0.79 FAAH (0.44) MAPTFAAHCA1CA2CYP3A4
SCHEMBL7097260 0.75 LMNA (0.41) LMNAMAPTALOX15TSHR
Butane SCHEMBL6048652 0.72 LMNA (0.56) LMNAMAPTFAAHCNR1CNR2
SCHEMBL7097254 0.72 MAPT (0.42) LMNAMAPTFAAHCA1CA2

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