SCHEMBL7012233

SCHEMBL7012233

CC(=O)OCCOc1ccc(C(=O)c2ccc(CBr)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PPARG P37231 3/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 3/20 0.45
MAPK1 P28482 1/20 0.45
BCHE P06276 4/20 0.43
ACHE P22303 4/20 0.43
PPARA Q07869 2/20 0.43
PPARD Q03181 1/20 0.43
MAOB P27338 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL9808670 0.83 GAA (0.66) L3MBTL1ALDH1A1HTTSMN1; SMN2PPARG
SCHEMBL720990 0.83 MAPT (0.57) L3MBTL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL14901534 0.82 L3MBTL1 (0.53) L3MBTL1ALDH1A1HTTPPARGMAPT
SCHEMBL5290227 0.81 ALDH1A1 (0.48) L3MBTL1ALDH1A1MAPTLMNAGAA
SCHEMBL7016246 0.81 ELANE (0.62) L3MBTL1ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL15496878 0.81 RARB (0.57) L3MBTL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL10030181 0.80 L3MBTL1 (0.55) L3MBTL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL23929839 0.80 GSK3B (0.57) L3MBTL1ALDH1A1MAPTGAARAB9A
SCHEMBL15084279 0.80 GAA (0.66) L3MBTL1HTTGAAPPARA
SCHEMBL2696204 0.79 L3MBTL1 (0.72) L3MBTL1ALDH1A1MAPTLMNAGAA

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-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed