SCHEMBL8552347

SCHEMBL8552347

O=C1CC(SCc2ccccc2)N1CCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
PKM P14618 3/20 0.40
TEAD3 Q99594 2/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
LMNA P02545 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
SCHEMBL8553484 0.86 HRH3 (0.47) MEN1KMT2A
SCHEMBL8552167 0.84 HRH3 (0.42)
SCHEMBL8443375 0.82 GAA (0.44) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL8438564 0.80 GSK3A (0.43) GAAMEN1KMT2AMAPT
SCHEMBL8551063 0.79 HTR2A (0.41) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL8552527 0.79 HRH3 (0.41)
SCHEMBL8440233 0.78 FAAH (0.44) MEN1KMT2ATSHR
SCHEMBL8442979 0.77 GSK3A (0.46) MEN1KMT2ATSHR
SCHEMBL8442219 0.75 CYP2C19 (0.40) KMT2ATSHRDDB1CRBN
SCHEMBL8438654 0.75 CYP2C19 (0.40) KMT2ATSHRDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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