SCHEMBL8552101

SCHEMBL8552101

O=C1CC([S+]([O-])Cc2ccccc2)N1CCOCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
PKM P14618 3/20 0.39
TEAD3 Q99594 2/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GBA1 P04062 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
SLC6A3 Q01959 1/20 0.35
TSHR P16473 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
REN P00797 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
SCHEMBL27499799 0.94 TEAD3 (0.40) LTA4HPKMTEAD3GAAALDH1A1
SCHEMBL8555803 0.86 HRH3 (0.41)
SCHEMBL8772523 0.83 HCRTR1 (0.43) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL8553771 0.81 TMEM97 (0.44) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL8772495 0.81 GSK3A (0.41) GAAMEN1KMT2AMAPT
SCHEMBL8549722 0.81 HRH3 (0.41) SLC6A3
SCHEMBL8553197 0.81 HTR2A (0.40) ALDH1A1MEN1KMT2ASLC6A3TSHR
SCHEMBL8772475 0.80 FAAH (0.42) MEN1KMT2ATSHRCYP2C19
SCHEMBL8439618 0.79 GSK3A (0.43) MEN1KMT2ATSHRCYP2C19
SCHEMBL8440093 0.76 ITGB1 (0.39) GAAALDH1A1KMT2ATSHRCYP2C19

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
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN claimed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP claimed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO claimed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed