SCHEMBL7100007

SCHEMBL7100007

CCOC(=O)CC(=O)C(C)(F)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SOAT1 P35610 1/20 0.33
TSHR P16473 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
SCHEMBL7099720 0.86 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15286697 0.83 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6248725 0.83 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7101659 0.83 MGAM (0.41) GAAMGAMSIMGAM2POLB
SCHEMBL7101687 0.82 GAA (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5076691 0.82 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL77331 0.81 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20797824 0.80 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20690184 0.80 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27805261 0.79 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