SCHEMBL8107437

SCHEMBL8107437

O=C(O)CSCC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CDC25B P30305 1/20 0.56
TDP1 Q9NUW8 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
CYP1A2 P05177 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALPG P10696 1/20 0.45
PAM P19021 2/20 0.44

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
SCHEMBL11852932 0.87 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1CDC25BTDP1
SCHEMBL1200459 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1CDC25BTDP1
SCHEMBL11613274 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1CDC25BTDP1
SCHEMBL22146619 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1CDC25BTDP1
SCHEMBL13680173 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1CDC25BTDP1
SCHEMBL21664378 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1CDC25BTDP1
SCHEMBL20109819 0.79 CDC25B (0.54) ALDH1A1MAPK1L3MBTL1CDC25BTDP1
SCHEMBL3041849 0.79 CDC25B (0.65) ALDH1A1MAPK1L3MBTL1CDC25BTDP1
SCHEMBL2679263 0.78 CDC25B (0.52) ALDH1A1MAPK1L3MBTL1CDC25BKMT2A
SCHEMBL2679262 0.78 CDC25B (0.52) ALDH1A1MAPK1L3MBTL1CDC25BKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632036-B1 Amide derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO CO (JP) 2000-03-01 EP disclosed
US-5614550-A ANTICHOLESTEROL AGENTS OR ARTERIOSCLEROSIS AGENTS FOR HUMANS SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
US-5534529-A Substituted aromatic amides and ureas derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 1996-07-09 US disclosed
EP-0632036-A2 Amide and urea derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1995-01-04 EP disclosed