SCHEMBL8439648

SCHEMBL8439648

O=C(CN1C(=O)CC1SCc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACE P12821 1/20 0.38
GRIN2B Q13224 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8442219 0.87 CYP2C19 (0.40) CYP2D6CYP2C19ACEL3MBTL1
SCHEMBL8374671 0.87 CYP2C19 (0.40) CYP2D6CYP2C19ACEL3MBTL1
SCHEMBL8438654 0.87 CYP2C19 (0.40) CYP2D6CYP2C19ACEL3MBTL1
SCHEMBL8439708 0.85 SIGMAR1 (0.51) ALDH1A1CYP2C19ACE
SCHEMBL8104132 0.82 ALDH1A1 (0.43) ALDH1A1GSK3AGSK3BRAB9ASMN1; SMN2
SCHEMBL8438716 0.82 MAPT (0.43) SMN1; SMN2MAPTMAPK1ACE
SCHEMBL8441249 0.82 HMOX1 (0.41) ALDH1A1ACEL3MBTL1
SCHEMBL8439425 0.81 HTT (0.50) ALDH1A1RAB9ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL8438972 0.78 MAPT (0.43) MAPT
SCHEMBL8443375 0.77 GAA (0.44) ALDH1A1GSK3AGSK3BSMN1; SMN2MAPT

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