SCHEMBL8094868

SCHEMBL8094868

CSC1CC(=O)N1CC(=O)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KEAP1 Q14145 1/20 0.39
TERT O14746 1/20 0.39
FAAH O00519 1/20 0.39
NPC1 O15118 1/20 0.38
APP P05067 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TRPA1 O75762 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL8104160 0.92 HDAC3 (0.42) TDP1FAAHNPC1
SCHEMBL8108442 0.90 MAPT (0.44) FAAHALOX5
SCHEMBL8094797 0.90 MAPT (0.44) FAAHALOX5
SCHEMBL8442860 0.87 HMOX1 (0.42) HMOX1ALDH1A1TDP1L3MBTL1KEAP1
SCHEMBL8439560 0.87 HMOX1 (0.42) HMOX1ALDH1A1TDP1L3MBTL1KEAP1
SCHEMBL8438341 0.87 HMOX1 (0.42) HMOX1ALDH1A1TDP1L3MBTL1KEAP1
SCHEMBL8438346 0.87 HMOX1 (0.42) HMOX1ALDH1A1TDP1L3MBTL1KEAP1
SCHEMBL8104113 0.86 HMOX1 (0.40) HMOX1ALDH1A1TDP1L3MBTL1KEAP1
SCHEMBL8441249 0.86 HMOX1 (0.41) HMOX1ALDH1A1TDP1L3MBTL1KEAP1
SCHEMBL8443320 0.84 ACE (0.42) HMOX1TDP1KEAP1NPC1APP

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-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP claimed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO claimed
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO disclosed