SCHEMBL8553163

SCHEMBL8553163

CC(C(=O)NCc1ccccc1)N1C(=O)CC1[S+]([O-])Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
MASP2 O00187 1/20 0.39
MME P08473 1/20 0.39
XIAP P98170 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL8517515 0.79 CCR3 (0.40) KMT2AMEN1
SCHEMBL8518068 0.79 HDAC3 (0.39)
SCHEMBL8552407 0.76 SLC1A2 (0.58) SLC1A2SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL8772459 0.76 HTT (0.48) SMN1; SMN2ALDH1A1LMNATSHRHTT
SCHEMBL8592569 0.75 POLB (0.39) ALDH1A1
SCHEMBL8594406 0.75 CYP1A2 (0.39) SMN1; SMN2LMNATSHRKMT2AMEN1
SCHEMBL8439559 0.74 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL22558179 0.72 SLC1A2 (1.00) SLC1A2SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL22558180 0.72 SLC1A2 (1.00) SLC1A2SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL8812748 0.70 KMT2A (0.40) KMT2AMEN1

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
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
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
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