SCHEMBL5773459

SCHEMBL5773459

NC(=O)c1ccccc1CC(F)(F)C[CH]C(=O)NCCCCC(=O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 9/20 0.43
FAAH O00519 5/20 0.43
CES1 P23141 2/20 0.43
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 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
SCHEMBL5773884 0.80 HDAC3 (0.41) FAAHCES1HDAC6HDAC3HDAC4
SCHEMBL5772079 0.76 FAAH (0.47) FAAHCES1
SCHEMBL27805184 0.72 DAGLA (0.67) DAGLAFAAHCES1HDAC6HDAC3
SCHEMBL6062417 0.68 DAGLA (0.67) DAGLAFAAHCES1
SCHEMBL24934423 0.68 FAAH (0.55) DAGLAFAAHCES1
SCHEMBL3870014 0.67 FAAH (0.40) DAGLAFAAHCES1HDAC6HDAC3
SCHEMBL7533228 0.66 DAGLA (0.50) DAGLAFAAHCES1HDAC6HDAC3
SCHEMBL6062153 0.66 DAGLA (0.43) DAGLAFAAHCES1HDAC6HDAC3
SCHEMBL6465056 0.66 DAGLA (0.64) DAGLAFAAHCES1
SCHEMBL7530434 0.66 DAGLA (0.52) DAGLAFAAHCES1HDAC6HDAC3

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 5 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 claimed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO claimed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 WO claimed
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