SCHEMBL8772438

SCHEMBL8772438

COc1ccccc1[S+]([O-])C1CC(=O)N1CC(=O)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.42
HCRTR2 O43614 9/20 0.42
ALOX5 P09917 2/20 0.42
APP P05067 1/20 0.40
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL8772502 0.85 ALOX5 (0.42) HCRTR1HCRTR2ALOX5POLB
SCHEMBL8772514 0.84 HCRTR1 (0.41) HCRTR1HCRTR2ALOX5APPPOLB
SCHEMBL8772456 0.84 NPC1 (0.44) ALOX5POLBGAA
SCHEMBL8442244 0.82 HMOX1 (0.40) POLBGAA
SCHEMBL8772382 0.82 HMOX1 (0.40) POLBGAA
SCHEMBL8443497 0.82 HMOX1 (0.40) POLBGAA
SCHEMBL8443496 0.82 HMOX1 (0.40) POLBGAA
SCHEMBL8102560 0.81 HMOX1 (0.40) ALOX5APPPOLB
SCHEMBL8772457 0.81 RAB9A (0.42) HCRTR1HCRTR2ALOX5POLBGAA
SCHEMBL8440303 0.79 TP53 (0.45) HCRTR1HCRTR2ALOX5POLBGAA

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
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed