SCHEMBL4418499

SCHEMBL4418499

O=C(O)C(F)c1cccc(F)c1F

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.51
CES1 P23141 6/20 0.51
BCHE P06276 1/20 0.45
ALB P02768 1/20 0.38
GAA P10253 1/20 0.38
KAT6A Q92794 1/20 0.37
CNR2 P34972 1/20 0.37
TTR P02766 1/20 0.36
GLS O94925 1/20 0.36
HPGD P15428 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35

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
SCHEMBL19458984 0.83 CNR2 (0.50) CES2CES1GAACNR2
SCHEMBL6491103 0.80 CES2 (0.51) CES2CES1BCHEHPGD
SCHEMBL31407017 0.80 CES2 (0.66) CES2CES1BCHEALBGAA
SCHEMBL1668559 0.80 CES2 (0.66) CES2CES1BCHEALBGAA
SCHEMBL31407025 0.80 CES2 (0.66) CES2CES1BCHEALBGAA
SCHEMBL23972274 0.80 CES2 (0.66) CES2CES1BCHEALBGAA
SCHEMBL1668558 0.80 CES2 (0.66) CES2CES1BCHEALBGAA
SCHEMBL27876509 0.79 CES2 (0.47) CES2CES1BCHEALBGAA
SCHEMBL15920915 0.79 CES2 (0.46) CES2CES1BCHEGLSHPGD
SCHEMBL3638268 0.78 CES2 (0.50) CES2CES1BCHEALBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951466-B1 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2009-01-21 EP disclosed