SCHEMBL7095852

SCHEMBL7095852

CCCCC(F)C(=O)C(C)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
ZDHHC7 Q9NXF8 1/20 0.43
MAPT P10636 2/20 0.43
ABCB1 P08183 1/20 0.38
BIRC2 Q13490 4/20 0.36
SLC15A1 P46059 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 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
SCHEMBL7099340 0.89 CA1 (0.40) CA1CA2ZDHHC7MAPTABCB1
SCHEMBL7100979 0.86 MAPT (0.43) CA1CA2ZDHHC7MAPTCYP3A4
SCHEMBL7100515 0.86 MAPT (0.43) CA1CA2ZDHHC7MAPTCYP3A4
SCHEMBL7099715 0.86 ALDH1A1 (0.44) CA1CA2MAPTTSHRATM
SCHEMBL7097254 0.84 MAPT (0.42) CA1CA2ZDHHC7MAPTABCB1
SCHEMBL7099734 0.83 MAPT (0.41) CA1CA2ZDHHC7MAPTCYP3A4
SCHEMBL7948592 0.83 CA2 (0.59) CA1CA2ZDHHC7MAPTABCB1
SCHEMBL11311824 0.83 CA2 (0.59) CA1CA2ZDHHC7MAPTABCB1
SCHEMBL7948589 0.83 CA2 (0.59) CA1CA2ZDHHC7MAPTABCB1
SCHEMBL7100492 0.81 CA1 (0.38) CA1CA2ZDHHC7BIRC2TSHR

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