SCHEMBL7100515

SCHEMBL7100515

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CA2 P00918 3/20 0.38
CA1 P00915 3/20 0.38
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
MAPK1 P28482 1/20 0.33
CPB2 Q96IY4 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
CES2 O00748 1/20 0.32
FAAH O00519 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7099715 0.89 ALDH1A1 (0.44) MAPTCA2CA1TSHRALDH1A1
SCHEMBL7100979 0.89 MAPT (0.43) MAPTCA2CA1TSHRALDH1A1
SCHEMBL7097520 0.89 ALDH1A1 (0.36) MAPTTSHRALDH1A1CYP3A4TDP1
SCHEMBL7099734 0.86 MAPT (0.41) MAPTCA2CA1TSHRALDH1A1
SCHEMBL7095852 0.86 CA1 (0.50) MAPTCA2CA1TSHRCYP3A4
SCHEMBL7097254 0.84 MAPT (0.42) MAPTCA2CA1TSHRCYP3A4
SCHEMBL7100406 0.84 ALDH1A1 (0.42) MAPTTSHRALDH1A1ATMTDP1
SCHEMBL7096850 0.83 MAPT (0.50) MAPTCA2CA1TSHRALDH1A1
SCHEMBL7101044 0.81 ALDH1A1 (0.41) MAPTCA2CA1ALDH1A1CYP3A4
SCHEMBL7101890 0.80 MAPT (0.36) MAPTTSHRALDH1A1TDP1

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