SCHEMBL7097261

SCHEMBL7097261

CC(C)COC(=O)CC(=O)C(C)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
POLB P06746 1/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
EPHX2 P34913 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 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
SCHEMBL5083389 0.83 TSHR (0.43) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL7101656 0.82 SMN1; SMN2 (0.39) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL243431 0.82 TSHR (0.56) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL1891371 0.81 GAA (0.58) TSHRALDH1A1L3MBTL1GAAPOLB
SCHEMBL7101777 0.80 TSHR (0.35) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL27964667 0.78 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL28236036 0.78 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL3910392 0.78 MGAM (0.46) TSHRALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL7100929 0.78 MGAM (0.38) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL7103448 0.77 TSHR (0.41) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2

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