SCHEMBL8102560

SCHEMBL8102560

C[S+]([O-])C1CC(=O)N1CC(=O)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TERT O14746 1/20 0.37
KEAP1 Q14145 1/20 0.37
APP P05067 1/20 0.37
NPC1 O15118 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
TRPA1 O75762 1/20 0.36
ALOX5 P09917 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8102574 0.93 HDAC3 (0.40) TDP1NPC1ALOX5SMN1; SMN2
SCHEMBL8104210 0.91 MAPT (0.43) ALOX5
SCHEMBL8104122 0.91 MAPT (0.43) ALOX5
SCHEMBL8108448 0.87 HMOX1 (0.38) HMOX1TDP1L3MBTL1ALDH1A1TERT
SCHEMBL8772387 0.86 HMOX1 (0.40) HMOX1TDP1L3MBTL1ALDH1A1KEAP1
SCHEMBL8443497 0.86 HMOX1 (0.40) HMOX1TDP1L3MBTL1ALDH1A1KEAP1
SCHEMBL8772382 0.86 HMOX1 (0.40) HMOX1TDP1L3MBTL1ALDH1A1KEAP1
SCHEMBL8443669 0.86 HMOX1 (0.40) HMOX1TDP1L3MBTL1ALDH1A1TERT
SCHEMBL8442244 0.86 HMOX1 (0.40) HMOX1TDP1L3MBTL1ALDH1A1KEAP1
SCHEMBL8443496 0.86 HMOX1 (0.40) HMOX1TDP1L3MBTL1ALDH1A1KEAP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US claimed
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