SCHEMBL8772387

SCHEMBL8772387

O=C(CCc1ccccc1)CN1C(=O)CC1[S+]([O-])Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.40
POLB P06746 1/20 0.38
KEAP1 Q14145 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPA1 O75762 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 2/20 0.35
FFAR1 O14842 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
SCHEMBL8772512 0.93 PLAAT3 (0.40) POLBNPC1
SCHEMBL8772384 0.91 MAPT (0.42) EPHX2
SCHEMBL8440303 0.91 TP53 (0.45) POLBTDP1NPC1ALDH1A1L3MBTL1
SCHEMBL8443669 0.90 HMOX1 (0.40) HMOX1POLBKEAP1TDP1NPC1
SCHEMBL8104046 0.88 HMOX1 (0.38) HMOX1POLBKEAP1TDP1NPC1
SCHEMBL8442702 0.88 HMOX1 (0.38) HMOX1KEAP1TDP1NPC1TRPA1
SCHEMBL8102560 0.86 HMOX1 (0.40) HMOX1POLBKEAP1TDP1NPC1
SCHEMBL8440093 0.86 ITGB1 (0.39) POLBALDH1A1L3MBTL1HPGD
SCHEMBL8442244 0.85 HMOX1 (0.40) HMOX1POLBKEAP1TDP1NPC1
SCHEMBL8443497 0.85 HMOX1 (0.40) HMOX1POLBKEAP1TDP1NPC1

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 3 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