SCHEMBL7101656

SCHEMBL7101656

CCC(F)C(=O)CC(=O)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 7/20 0.37
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 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
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL7101777 0.86 TSHR (0.35) SMN1; SMN2TSHRGAAMGAMSI
SCHEMBL7103448 0.83 TSHR (0.41) SMN1; SMN2TSHRALDH1A1TDP1L3MBTL1
SCHEMBL7097261 0.82 TSHR (0.41) SMN1; SMN2TSHRGAAMGAMSI
SCHEMBL7096992 0.82 GAA (0.56) TSHRGAAMGAMSIMGAM2
SCHEMBL28235998 0.80 TSHR (0.50) SMN1; SMN2TSHRGAAMGAMSI
SCHEMBL7100999 0.79 MGAM (0.37) SMN1; SMN2TSHRGAAMGAMSI
SCHEMBL7099707 0.78 MGAM (0.42) TSHRGAAMGAMSIMGAM2
SCHEMBL5083389 0.78 TSHR (0.43) SMN1; SMN2TSHRGAAMGAMSI
SCHEMBL243431 0.77 TSHR (0.56) SMN1; SMN2TSHRGAAMGAMSI
SCHEMBL7099334 0.77 LMNA (0.41) TSHRALDH1A1MAPTLMNAALOX15

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