SCHEMBL4599561

SCHEMBL4599561

O=C(CC(=O)C(F)(F)C(F)(F)F)c1cc(F)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
PLOD2 O00469 1/20 0.44
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.37
MDM2 Q00987 3/20 0.36
PTPN1 P18031 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
POLB P06746 1/20 0.36
P2RX1 P51575 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
ACKR3 P25106 1/20 0.35
DRD2 P14416 1/20 0.35
KEAP1 Q14145 1/20 0.35
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34

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
SCHEMBL5117814 0.87 PLOD2 (0.59) CES2CES1PLOD2ALDH1A1MAPT
SCHEMBL10873114 0.78 CES2 (0.47) CES2CES1PLOD2MAPTPOLB
SCHEMBL4599899 0.76 PLOD2 (0.73) CES2CES1PLOD2MAPTPTPN1
SCHEMBL17921197 0.75 CES2 (0.55) CES2CES1ALDH1A1MAPTMDM2
SCHEMBL25204030 0.73 CES2 (0.53) CES2CES1ALDH1A1MAPTMDM2
SCHEMBL1924321 0.73 PLOD2 (0.59) CES2CES1PLOD2MAPTPOLB
SCHEMBL27764538 0.73 CES2 (0.63) CES2CES1ALDH1A1MAPTMDM2
SCHEMBL21509855 0.73 CES2 (0.63) CES2CES1ALDH1A1MAPTMDM2
SCHEMBL8911819 0.73 PLOD2 (0.49) CES2CES1PLOD2MAPTPTPN1
SCHEMBL3094911 0.72 CES2 (0.61) CES2CES1ALDH1A1MAPTMDM2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381567-B2 Dissociative fluorescence enhancement assay WALLAC OY (FI) 2008-06-03 US disclosed
EP-1483582-B1 DISSOCIATIVE FLUORESCENCE ENHANCEMENT ASSAY WALLAC OY (FI) 2008-04-16 EP disclosed
US-7211440-B2 Dissociative fluorescence enhancement assay WALLAC OY (FI) 2007-05-01 US disclosed
US-20070015284-A1 Dissociative fluorescence enhancement assay HEMMILA ILKKA 2007-01-18 US disclosed
EP-1483582-A1 DISSOCIATIVE FLUORESCENCE ENHANCEMENT ASSAY WALLAC OY (FI) 2004-12-08 EP disclosed
WO-2003076939-A1 DISSOCIATIVE FLUORESCENCE ENHANCEMENT ASSAY WALLAC OY (FI) 2003-09-18 WO disclosed
US-20030170907-A1 Dissociative fluorescence enhancement assay WALLAC OY (FI) 2003-09-11 US disclosed