SCHEMBL8102631

SCHEMBL8102631

COC(=O)CSC1CC(=O)N1CC(=O)CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
ALDH1A1 P00352 1/20 0.38
PTGER4 P35408 1/20 0.38
ALOX5 P09917 1/20 0.38
TP53 P04637 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HMOX1 P09601 1/20 0.37
FAAH O00519 1/20 0.36
CMA1 P23946 1/20 0.36

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
SCHEMBL8439560 0.85 HMOX1 (0.42) APPALDH1A1HMOX1
SCHEMBL8441249 0.83 HMOX1 (0.41) APPALDH1A1HMOX1
SCHEMBL8094868 0.82 HMOX1 (0.42) APPALDH1A1ALOX5HMOX1FAAH
SCHEMBL8441617 0.82 TP53 (0.46) APPALDH1A1TP53
SCHEMBL8441214 0.82 HCRTR1 (0.43) APPALOX5
SCHEMBL8104130 0.81 POLB (0.41) APPALDH1A1HMOX1
SCHEMBL8443320 0.81 ACE (0.42) APPHMOX1
SCHEMBL8108430 0.81 HMOX1 (0.40) APPALDH1A1HMOX1FAAH
SCHEMBL8438346 0.80 HMOX1 (0.42) ALDH1A1HMOX1
SCHEMBL8438341 0.80 HMOX1 (0.42) ALDH1A1HMOX1

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