SCHEMBL7235274

SCHEMBL7235274

C[C@H](N)C(=O)Oc1ccccc1NC(=O)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 3/20 0.52
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7248994 0.81 NPC1 (0.59) RAB9ASMN1; SMN2NPC1POLBMAPT
SCHEMBL13255541 0.80 SMN1; SMN2 (0.71) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL24862889 0.76 RAB9A (0.61) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL5497597 0.76 ALDH1A1 (0.42) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL5374226 0.75 HCAR2 (0.55) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL25847892 0.75 RAB9A (0.58) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL29844215 0.72 POLB (0.80) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL8440269 0.72 POLB (0.80) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL1521002 0.72 RAB9A (0.71) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL13255493 0.71 ALDH1A1 (0.62) RAB9ASMN1; SMN2NPC1POLBHPGD

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
US-6569847-B1 Inhibitors of cathepsins for treating muscular dystrophy, osteoporosis, rheumatoid arthritis, neuronal or cardiac ischaemia, allergy, or Chagas disease NAEJA PHARMACEUTICALS INC. (CA) 2003-05-27 US disclosed
EP-1165506-A1 SUBSTITUTED AZETIDIN-2-ONES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2002-01-02 EP disclosed
WO-2000059881-A1 SUBSTITUTED AZETIDIN-2-ONES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2000-10-12 WO disclosed