SCHEMBL7099734

SCHEMBL7099734

CCCCC(F)C(=O)C(C)C(=O)OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 4/20 0.36
CA1 P00915 3/20 0.36
TSHR P16473 5/20 0.36
CYP3A4 P08684 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
ZDHHC7 Q9NXF8 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
SCHEMBL7102235 0.90 TSHR (0.36) MAPTTSHRALDH1A1
SCHEMBL7100515 0.86 MAPT (0.43) MAPTCA2CA1TSHRCYP3A4
SCHEMBL7100979 0.86 MAPT (0.43) MAPTL3MBTL1CA2CA1TSHR
SCHEMBL7099715 0.86 ALDH1A1 (0.44) MAPTL3MBTL1CA2CA1TSHR
SCHEMBL7095852 0.83 CA1 (0.50) MAPTL3MBTL1CA2CA1TSHR
SCHEMBL7097417 0.82 TSHR (0.38) TSHRALDH1A1
SCHEMBL7097254 0.81 MAPT (0.42) MAPTCA2CA1TSHRCYP3A4
SCHEMBL7100406 0.81 ALDH1A1 (0.42) MAPTL3MBTL1TSHRATMTDP1
SCHEMBL7101890 0.77 MAPT (0.36) MAPTTSHRTDP1LMNAALDH1A1
SCHEMBL7096884 0.76 TSHR (0.42) MAPTL3MBTL1TSHRCYP3A4TDP1

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