SCHEMBL7097260

SCHEMBL7097260

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.38
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL3910392 0.81 MGAM (0.46) LMNATSHRMAPTALDH1A1HTT
SCHEMBL181918 0.81 LMNA (0.43) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL7099334 0.81 LMNA (0.41) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL229792 0.80 TSHR (0.50) LMNATSHRMAPTCYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL29090137 0.79 LMNA (0.42) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL7101885 0.78 LMNA (0.43) LMNATSHRMAPTALDH1A1ALOX15
SCHEMBL28727541 0.78 LMNA (0.48) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL18152012 0.78 LMNA (0.48) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL28875912 0.78 LMNA (0.48) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL28315849 0.78 LMNA (0.48) LMNATSHRMAPTCYP2D6ALDH1A1

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