SCHEMBL7097254

SCHEMBL7097254

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.41
CA2 P00918 3/20 0.37
CA1 P00915 3/20 0.37
FAAH O00519 1/20 0.34
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSK P43235 2/20 0.33
MAPK1 P28482 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
CES2 O00748 1/20 0.32
ABCB1 P08183 1/20 0.31

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
SCHEMBL7096505 0.89 LMNA (0.35) MAPTLMNATSHRTDP1
SCHEMBL7100979 0.84 MAPT (0.43) MAPTCA2CA1TSHRCYP3A4
SCHEMBL7095852 0.84 CA1 (0.50) MAPTLMNACA2CA1TSHR
SCHEMBL7100515 0.84 MAPT (0.43) MAPTCA2CA1FAAHTSHR
SCHEMBL7099715 0.84 ALDH1A1 (0.44) MAPTLMNACA2CA1TSHR
SCHEMBL7096767 0.82 TSHR (0.34) LMNATSHRALOX15
SCHEMBL7099734 0.81 MAPT (0.41) MAPTLMNACA2CA1TSHR
SCHEMBL7100406 0.79 ALDH1A1 (0.42) MAPTLMNATSHRATMTDP1
SCHEMBL29009190 0.77 MAPT (0.58) MAPTCA2CA1MAPK1CES2
SCHEMBL7101890 0.75 MAPT (0.36) MAPTLMNATSHRTDP1

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