SCHEMBL8438564

SCHEMBL8438564

O=C1CC(SCc2ccccc2)N1CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 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
SCHEMBL8440233 0.96 FAAH (0.44) GSK3AGSK3BSIGMAR1MEN1KMT2A
SCHEMBL8442979 0.94 GSK3A (0.46) GSK3AGSK3BSIGMAR1MEN1KMT2A
SCHEMBL8443375 0.91 GAA (0.44) GSK3AGSK3BGAAHTTMAPK1
SCHEMBL8772441 0.88 GSK3A (0.40) GSK3AGSK3BSIGMAR1HTTSMN1; SMN2
SCHEMBL8772537 0.88 POLB (0.40) GSK3AGSK3BSIGMAR1L3MBTL1FAAH
SCHEMBL8553484 0.87 HRH3 (0.47) SIGMAR1MEN1USP2KMT2A
SCHEMBL8552167 0.85 HRH3 (0.42) SIGMAR1
SCHEMBL8110096 0.80 SIGMAR1 (0.48) GSK3AGSK3BSIGMAR1MEN1KMT2A
SCHEMBL8438972 0.80 MAPT (0.43) MAPTFAAH
SCHEMBL8551063 0.80 HTR2A (0.41) SIGMAR1HTTMAPK1SMN1; SMN2MEN1

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
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed