SCHEMBL8104145

SCHEMBL8104145

CCCCCCSC1CC(=O)N1CC(=O)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HMOX1 P09601 1/20 0.39
APP P05067 1/20 0.38
TSHR P16473 1/20 0.37
HDAC3 O15379 1/20 0.37
POLB P06746 1/20 0.37
ACE P12821 1/20 0.37
EPHX2 P34913 1/20 0.36
CETP P11597 1/20 0.36
PRKCA P17252 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
SCHEMBL8108430 0.96 HMOX1 (0.40) HPGDALDH1A1LMNAMAPTHTT
SCHEMBL8443320 0.90 ACE (0.42) MAPTHMOX1APPHDAC3POLB
SCHEMBL8439560 0.89 HMOX1 (0.42) ALDH1A1HMOX1APPPOLBACE
SCHEMBL8104130 0.85 POLB (0.41) ALDH1A1HMOX1APPTSHRPOLB
SCHEMBL8441249 0.83 HMOX1 (0.41) ALDH1A1HMOX1APPPOLBACE
SCHEMBL8102617 0.83 HPGD (0.49) HPGDALDH1A1LMNATSHRPOLB
SCHEMBL8094804 0.81 POLB (0.43) HPGDHMOX1HDAC3POLBACE
SCHEMBL8094868 0.81 HMOX1 (0.42) ALDH1A1HMOX1APP
SCHEMBL8102631 0.79 APP (0.41) ALDH1A1HMOX1APP
SCHEMBL8438346 0.79 HMOX1 (0.42) ALDH1A1HMOX1POLB

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