SCHEMBL8443375

SCHEMBL8443375

O=C1CC(SCc2ccccc2)N1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
MGLL Q99685 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL8438564 0.91 GSK3A (0.43) GAAHTTMEN1KMT2AUSP2
SCHEMBL8440233 0.90 FAAH (0.44) MEN1KMT2AL3MBTL1GSK3AGSK3B
SCHEMBL8442979 0.89 GSK3A (0.46) MEN1KMT2AL3MBTL1GSK3AGSK3B
SCHEMBL8553484 0.84 HRH3 (0.47) MEN1KMT2AUSP2HRH3
SCHEMBL8772441 0.82 GSK3A (0.40) HTTMEN1KMT2AMAPTL3MBTL1
SCHEMBL8552167 0.82 HRH3 (0.42) HRH3
SCHEMBL8772537 0.82 POLB (0.40) L3MBTL1GSK3AGSK3BMGLLALDH1A1
SCHEMBL8552347 0.82 LTA4H (0.41) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL8441249 0.81 HMOX1 (0.41) L3MBTL1ALDH1A1
SCHEMBL8442219 0.81 CYP2C19 (0.40) KMT2AL3MBTL1

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 3 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
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed