SCHEMBL8440706

SCHEMBL8440706

O=C(CCc1ccccc1)CN1C(=O)CC1S(=O)(=O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KEAP1 Q14145 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 5/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL8104137 0.86 POLB (0.43) HMOX1POLBKEAP1TDP1NPC1
SCHEMBL8439468 0.85 HTR2A (0.40) HMOX1POLBKEAP1TDP1NPC1
SCHEMBL8094782 0.85 HMOX1 (0.39) HMOX1POLBHTTTDP1ALDH1A1
SCHEMBL8554206 0.79 POLB (0.41) POLBGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL8110081 0.79 HDAC3 (0.41) POLBMAPK1SMN1; SMN2TDP1NPC1
SCHEMBL8442243 0.78 TRPV1 (0.49) POLBGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8439597 0.78 HCRTR1 (0.43) POLBSMN1; SMN2TDP1ALDH1A1
SCHEMBL8110094 0.77 MAPT (0.43)
SCHEMBL8104121 0.77 MAPT (0.43)
SCHEMBL8439355 0.77 GSK3A (0.44) GAAMAPK1HTTSMN1; SMN2TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
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
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
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