SCHEMBL8442979

SCHEMBL8442979

O=C1CC(SCc2ccccc2)N1CCCCCCCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 7/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PTGER4 P35408 1/20 0.40
CCR3 P51677 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 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 0.99 FAAH (0.44) GSK3AGSK3BTDP1L3MBTL1SIGMAR1
SCHEMBL8438564 0.94 GSK3A (0.43) GSK3AGSK3BL3MBTL1SIGMAR1FAAH
SCHEMBL8772441 0.93 GSK3A (0.40) GSK3AGSK3BTDP1L3MBTL1SIGMAR1
SCHEMBL8772537 0.93 POLB (0.40) GSK3AGSK3BTDP1L3MBTL1SIGMAR1
SCHEMBL8443375 0.89 GAA (0.44) GSK3AGSK3BL3MBTL1MGLLMEN1
SCHEMBL8552167 0.88 HRH3 (0.42) SIGMAR1
SCHEMBL8553484 0.85 HRH3 (0.47) SIGMAR1MEN1KMT2A
SCHEMBL8110096 0.83 SIGMAR1 (0.48) GSK3AGSK3BTDP1L3MBTL1SIGMAR1
SCHEMBL8438972 0.83 MAPT (0.43) FAAHPTGER4
SCHEMBL8552527 0.82 HRH3 (0.41) SIGMAR1

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
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US 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