SCHEMBL7101799

SCHEMBL7101799

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
NR1H3 Q13133 1/20 0.34
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
POLB P06746 1/20 0.33
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MMP8 P22894 1/20 0.32
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL20680194 0.86 TSHR (0.39) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL243431 0.79 TSHR (0.56) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL6248725 0.78 GAA (0.58) TSHRALDH1A1GAASMN1; SMN2POLB
SCHEMBL7100983 0.76 LMNA (0.38) TSHRALDH1A1SMN1; SMN2PPARGNCOA2
SCHEMBL6204609 0.76 TSHR (0.46) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL7097459 0.74 MGAM (0.46) TSHRALDH1A1GAAPOLBMGAM
SCHEMBL28236036 0.74 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL27964667 0.74 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL7100189 0.74 MGAM (0.38) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL6203445 0.74 TSHR (0.36) TSHRALDH1A1TDP1L3MBTL1GAA

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