SCHEMBL7100983

SCHEMBL7100983

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
NLRP3 Q96P20 1/20 0.32
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL196660 0.85 LMNA (0.39) LMNATSHRMAPTSMN1; SMN2NLRP3
SCHEMBL8961136 0.83 LMNA (0.41) LMNATSHRMAPTSMN1; SMN2NLRP3
SCHEMBL28315849 0.79 LMNA (0.48) LMNATSHRMAPTSMN1; SMN2NLRP3
SCHEMBL7097459 0.78 MGAM (0.46) LMNATSHRMAPTALDH1A1MEN1
SCHEMBL13947740 0.78 LMNA (0.41) LMNATSHRMAPTNLRP3CYP2D6
SCHEMBL229792 0.77 TSHR (0.50) LMNATSHRMAPTSMN1; SMN2NLRP3
SCHEMBL7101799 0.76 TSHR (0.38) TSHRMAPTSMN1; SMN2ALDH1A1PPARG
SCHEMBL28727541 0.74 LMNA (0.48) LMNATSHRMAPTSMN1; SMN2NLRP3
SCHEMBL18152012 0.74 LMNA (0.48) LMNATSHRMAPTSMN1; SMN2NLRP3
SCHEMBL28875912 0.74 LMNA (0.48) LMNATSHRMAPTSMN1; SMN2NLRP3

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