SCHEMBL7101919

SCHEMBL7101919

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
POLA1 P09884 1/20 0.39
FAAH O00519 8/20 0.38
CES1 P23141 5/20 0.37
CES2 O00748 5/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
BIRC2 Q13490 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL7097762 0.90 MGAM (0.39) CA1CA2POLBPOLA1FAAH
SCHEMBL7101687 0.86 GAA (0.47) CA1CA2POLBFAAHCES1
SCHEMBL7101659 0.80 MGAM (0.41) CA1CA2POLBPOLA1FAAH
SCHEMBL11304466 0.79 CA1 (0.42) CA1CA2FAAHCES1CES2
SCHEMBL11299245 0.79 CA1 (0.42) CA1CA2FAAHCES1CES2
SCHEMBL7099720 0.76 GAA (0.52) POLBMEN1CYP1A2KMT2AHSD17B10
SCHEMBL11382935 0.74 POLB (0.46) CA2POLBPOLA1FAAHCES1
SCHEMBL11382933 0.74 POLB (0.46) CA2POLBPOLA1FAAHCES1
SCHEMBL10994874 0.74 LPAR1 (0.36) CA1CA2FAAHCES1CES2
SCHEMBL11303168 0.74 LPAR1 (0.36) CA1CA2FAAHCES1CES2

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