SCHEMBL8104130

SCHEMBL8104130

O=C(CCc1ccccc1)CN1C(=O)CC1SCCO

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
HMOX1 P09601 1/20 0.40
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.36
KEAP1 Q14145 1/20 0.36
APP P05067 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TRPA1 O75762 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
SCHEMBL8439560 0.94 HMOX1 (0.42) POLBHMOX1ALDH1A1KEAP1APP
SCHEMBL8443320 0.90 ACE (0.42) POLBHMOX1KEAP1APPTDP1
SCHEMBL8441249 0.88 HMOX1 (0.41) POLBHMOX1ALDH1A1KEAP1APP
SCHEMBL8108430 0.87 HMOX1 (0.40) POLBHMOX1ALDH1A1APPTDP1
SCHEMBL8104145 0.85 HPGD (0.40) POLBHMOX1ALDH1A1TSHRAPP
SCHEMBL8438341 0.84 HMOX1 (0.42) POLBHMOX1ALDH1A1KEAP1TDP1
SCHEMBL8438346 0.84 HMOX1 (0.42) POLBHMOX1ALDH1A1KEAP1TDP1
SCHEMBL8442860 0.84 HMOX1 (0.42) POLBHMOX1ALDH1A1KEAP1TDP1
SCHEMBL8094868 0.84 HMOX1 (0.42) HMOX1ALDH1A1KEAP1APPTDP1
SCHEMBL8102631 0.81 APP (0.41) HMOX1ALDH1A1APP

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