SCHEMBL8772523

SCHEMBL8772523

O=C1CC([S+]([O-])Cc2ccccc2)N1CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 4/20 0.40
APAF1 O14727 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 1/20 0.40
GSK3A P49840 2/20 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
SCHEMBL8772495 0.92 GSK3A (0.41) GAAKMT2AHTTMAPTHSD17B10
SCHEMBL8772475 0.91 FAAH (0.42) KMT2AMEN1L3MBTL1GSK3AGSK3B
SCHEMBL8439618 0.89 GSK3A (0.43) KMT2AMEN1L3MBTL1GSK3AGSK3B
SCHEMBL8555803 0.84 HRH3 (0.41) HRH3
SCHEMBL8772402 0.83 HTR2A (0.43) GAAKMT2AMEN1ALDH1A1GSK3A
SCHEMBL8772398 0.83 GSK3A (0.39) KMT2AHTTMAPTMEN1L3MBTL1
SCHEMBL8619484 0.83 GSK3B (0.39) KMT2AMEN1L3MBTL1GSK3AGSK3B
SCHEMBL8552101 0.83 LTA4H (0.39) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL8772387 0.82 HMOX1 (0.40) L3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL8553771 0.82 TMEM97 (0.44) KMT2AMAPTMEN1SMN1; SMN2HRH3

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
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
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed