SCHEMBL8439468

SCHEMBL8439468

O=C(CCc1ccccc1)CN1C(=O)CC1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.40
KCNH2 Q12809 2/20 0.40
HTR2C P28335 1/20 0.40
HMOX1 P09601 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
KEAP1 Q14145 1/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 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) HMOX1KEAP1POLBTDP1NPC1
SCHEMBL8440706 0.85 HMOX1 (0.40) HMOX1KEAP1POLBTDP1NPC1
SCHEMBL8439597 0.82 HCRTR1 (0.43) POLBTDP1ALDH1A1
SCHEMBL8094782 0.80 HMOX1 (0.39) HMOX1POLBTDP1ALDH1A1L3MBTL1
SCHEMBL8110081 0.79 HDAC3 (0.41) MEN1KMT2APOLBTDP1NPC1
SCHEMBL8110094 0.77 MAPT (0.43)
SCHEMBL8104121 0.77 MAPT (0.43)
SCHEMBL8094868 0.74 HMOX1 (0.42) HMOX1KEAP1TDP1NPC1ALDH1A1
SCHEMBL8439560 0.74 HMOX1 (0.42) HMOX1KEAP1POLBTDP1NPC1
SCHEMBL8438346 0.74 HMOX1 (0.42) HMOX1MEN1KMT2AKEAP1POLB

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
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
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