SCHEMBL7097418

SCHEMBL7097418

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TSHR P16473 5/20 0.37
MAPT P10636 1/20 0.35
HSD17B10 Q99714 2/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.34
POLA1 P09884 1/20 0.34
TET2 Q6N021 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 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
SCHEMBL7100091 0.88 MAPT (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL7097454 0.84 GAA (0.52) MGAMGAASIMGAM2MAPT
SCHEMBL7099707 0.83 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL7097263 0.82 MGAM (0.35) MGAMGAASIMGAM2MAPT
SCHEMBL7101885 0.82 LMNA (0.43) GAATSHRMAPTHSD17B10HDAC7
SCHEMBL7101777 0.80 TSHR (0.35) MGAMGAASIMGAM2TSHR
SCHEMBL7097752 0.80 FAAH (0.44) TSHRMAPTCA1CA2NPSR1
SCHEMBL29097566 0.78 HDAC7 (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL4473150 0.77 ZDHHC7 (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL1366210 0.75 MGAM (0.48) MGAMGAASIMGAM2TSHR

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