SCHEMBL8772382

SCHEMBL8772382

O=C(CCc1ccccc1)CN1C(=O)CC1[S+]([O-])c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
KEAP1 Q14145 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPC1 O15118 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TRPA1 O75762 1/20 0.35
POLB P06746 1/20 0.35
FFAR1 O14842 1/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8442244 1.00 HMOX1 (0.40) HMOX1L3MBTL1ALDH1A1HTTATM
SCHEMBL8443496 1.00 HMOX1 (0.40) HMOX1L3MBTL1ALDH1A1HTTATM
SCHEMBL8443497 1.00 HMOX1 (0.40) HMOX1L3MBTL1ALDH1A1HTTATM
SCHEMBL8772456 0.89 NPC1 (0.44) ALDH1A1ATMTDP1NPC1POLB
SCHEMBL8772457 0.87 RAB9A (0.42) ALDH1A1HTTNPC1SIGMAR1POLB
SCHEMBL8102560 0.86 HMOX1 (0.40) HMOX1L3MBTL1ALDH1A1KEAP1TDP1
SCHEMBL8772387 0.85 HMOX1 (0.40) HMOX1L3MBTL1ALDH1A1KEAP1TDP1
SCHEMBL8443669 0.85 HMOX1 (0.40) HMOX1L3MBTL1ALDH1A1HTTKEAP1
SCHEMBL8772502 0.84 ALOX5 (0.42) ALDH1A1NPC1POLBMAPK1
SCHEMBL8442702 0.83 HMOX1 (0.38) HMOX1KEAP1TDP1NPC1TRPA1

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