SCHEMBL6171672

SCHEMBL6171672

COC(=O)C(O)CCc1cccc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
ALDH1A1 P00352 1/20 0.37
FOLH1 Q04609 1/20 0.37
NR3C2 P08235 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL13536742 0.81 SLC7A5 (0.45) ALDH1A1
SCHEMBL15539658 0.80 TAAR1 (0.36) PPARGPPARAHSP90AA1HSP90AB1
SCHEMBL15540394 0.80 TAAR1 (0.36) PPARGPPARAHSP90AA1HSP90AB1
SCHEMBL1279588 0.79 MEN1 (0.44) ALDH1A1
SCHEMBL1279851 0.79 MEN1 (0.44) ALDH1A1
SCHEMBL1279586 0.79 MEN1 (0.44) ALDH1A1
SCHEMBL6171029 0.78 HDAC1 (0.41) MTNR1AMTNR1BHDAC1HDAC6PPARG
SCHEMBL27721793 0.78 PPARA (0.39) MTNR1AMTNR1BPPARGPPARAALDH1A1
SCHEMBL7588471 0.77 PREP (0.42) PPARGPPARAALDH1A1
SCHEMBL9340684 0.77 SLC7A5 (0.49) ALDH1A1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098885-B9 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-18 EP disclosed
EP-1098885-B1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2004-11-17 EP disclosed
US-6359145-B1 ADENOSINE DEAMINASE INHIBITOR; ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP disclosed
WO-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed