SCHEMBL8552407

SCHEMBL8552407

CC(C(=O)NCc1ccccc1)N1C(=O)CC1SCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
MME P08473 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CTRB1 P17538 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
ACE P12821 1/20 0.42

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
SCHEMBL8440266 0.85 ACE (0.46) SLC1A2SMN1; SMN2ALDH1A1ACE
SCHEMBL8551020 0.83 ACE (0.43) SLC1A2SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14339042 0.80 MAPT (0.46) ALDH1A1LMNAKMT2AMEN1
SCHEMBL14514859 0.80 KMT2A (0.43) ALDH1A1KMT2A
SCHEMBL8620238 0.76 ATM (0.43) SMN1; SMN2ALDH1A1HTTACE
SCHEMBL8553163 0.76 SLC1A2 (0.55) SLC1A2SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL8439425 0.76 HTT (0.50) SMN1; SMN2ALDH1A1LMNATSHRHTT
SCHEMBL8551199 0.75 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1ACE
SCHEMBL8554152 0.74 POLB (0.41) ALDH1A1
SCHEMBL22558179 0.74 SLC1A2 (1.00) SLC1A2SMN1; SMN2ALDH1A1LMNATSHR

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