SCHEMBL6943718

SCHEMBL6943718

COC(=O)NOC(=O)C(=O)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT5 Q96KN8 3/20 0.48
PLAAT4 Q9UL19 3/20 0.48
PLAAT3 P53816 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48
ALDH1A1 P00352 1/20 0.47
KEAP1 Q14145 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CMA1 P23946 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL6942862 0.85 CA12 (0.46) PLAAT5PLAAT4PLAAT3PLAAT2ALDH1A1
SCHEMBL9006857 0.84 TDP1 (0.56) ALDH1A1KEAP1NPC1RAB9AHDAC2
SCHEMBL991969 0.83 ALDH1A1 (0.57) PLAAT5PLAAT4PLAAT3PLAAT2ALDH1A1
SCHEMBL27514725 0.76 KEAP1 (0.55) PLAAT5PLAAT4PLAAT3PLAAT2ALDH1A1
SCHEMBL313265 0.74 FFAR1 (0.61) PLAAT5PLAAT4PLAAT3PLAAT2HDAC2
SCHEMBL304796 0.73 L3MBTL1 (0.55) PLAAT5PLAAT4PLAAT3PLAAT2ALDH1A1
SCHEMBL27883810 0.73 ALDH1A1 (0.58) PLAAT5PLAAT4PLAAT3PLAAT2ALDH1A1
SCHEMBL7640251 0.73 PLAAT3 (0.58) PLAAT5PLAAT4PLAAT3PLAAT2ALDH1A1
SCHEMBL750022 0.73 TSHR (0.51) ALDH1A1RAB9AHDAC8HDAC6TDP1
SCHEMBL4279627 0.73 KEAP1 (0.73) PLAAT5PLAAT4ALDH1A1KEAP1NPC1

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
EP-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 EP disclosed
US-6150567-A REACTING CARBONYL COMPOUND WITH ORGANOALUMINUM COMPOUND TO FORM AN ALCOHOL COMPOUND KANEKA CORPORATION (JP) 2000-11-21 US disclosed
EP-0827943-A1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORPORATION (JP) 1998-03-11 EP disclosed