SCHEMBL7099720

SCHEMBL7099720

CCCC(C)(F)C(=O)CC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
ALDH1A1 P00352 5/20 0.39
TRPA1 O75762 1/20 0.39
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7101687 0.91 GAA (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7100007 0.86 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7097762 0.84 MGAM (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6248725 0.82 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15286697 0.82 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL77331 0.79 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20690184 0.78 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20797824 0.78 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21500594 0.78 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7406648 0.78 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1

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