SCHEMBL5796591

SCHEMBL5796591

CCCC(F)(F)CC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
CES2 O00748 3/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
FAAH O00519 8/20 0.32
CES1 P23141 5/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL1032750 0.80
SCHEMBL1706443 0.78 HMGCR (0.40) CES2FAAHCES1
SCHEMBL1578074 0.73 LMNA (0.43) FDPSHSD17B10LMNA
SCHEMBL27625444 0.73 FDPS (0.44) FDPSHSD17B10LMNAFAAHMEN1
SCHEMBL3351984 0.71 FDPS (0.38) FDPSHSD17B10LMNA
SCHEMBL23359136 0.71 GAA (0.44) HSD17B10LMNAMEN1CYP1A2KMT2A
SCHEMBL1028597 0.70
SCHEMBL19971163 0.70
SCHEMBL22327484 0.70
SCHEMBL7760151 0.70 HSD17B10 (0.40) FDPSHSD17B10LMNACES2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 WO disclosed