SCHEMBL8108448

SCHEMBL8108448

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TERT O14746 1/20 0.35
FKBP1A P62942 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
RIPK1 Q13546 1/20 0.35
APP P05067 1/20 0.35
KEAP1 Q14145 1/20 0.35

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
SCHEMBL8102560 0.87 HMOX1 (0.40) HMOX1TDP1NPC1L3MBTL1POLB
SCHEMBL8443496 0.83 HMOX1 (0.40) HMOX1TDP1NPC1L3MBTL1POLB
SCHEMBL8443669 0.83 HMOX1 (0.40) HMOX1TDP1NPC1L3MBTL1POLB
SCHEMBL8772382 0.83 HMOX1 (0.40) HMOX1TDP1NPC1L3MBTL1POLB
SCHEMBL8443497 0.83 HMOX1 (0.40) HMOX1TDP1NPC1L3MBTL1POLB
SCHEMBL8442244 0.83 HMOX1 (0.40) HMOX1TDP1NPC1L3MBTL1POLB
SCHEMBL8772387 0.83 HMOX1 (0.40) HMOX1TDP1NPC1L3MBTL1POLB
SCHEMBL8442702 0.81 HMOX1 (0.38) HMOX1TDP1NPC1KEAP1
SCHEMBL8104046 0.81 HMOX1 (0.38) HMOX1TDP1NPC1L3MBTL1POLB
SCHEMBL8094772 0.81 HMOX1 (0.39) HMOX1TDP1L3MBTL1ALDH1A1HTT

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 4 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