SCHEMBL8107526

SCHEMBL8107526

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)CC#N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 1/20 0.32
NR1H2 P55055 2/20 0.31
AR P10275 1/20 0.31
NR1H3 Q13133 1/20 0.30

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
SCHEMBL8107529 1.00 MEN1 (0.33) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL8107527 1.00 MEN1 (0.33) MEN1ALDH1A1MAPTKMT2ACTSK
Water SCHEMBL8098440 0.87 NR1H2 (0.34) MEN1KMT2ANR1H2
SCHEMBL8107979 0.86 NR1H2 (0.36) MEN1ALDH1A1KMT2ANR1H2
SCHEMBL9595771 0.86 NR1H2 (0.36) MEN1ALDH1A1KMT2ANR1H2
SCHEMBL8106571 0.85 NR1H2 (0.35) MEN1KMT2ANR1H2
SCHEMBL8112404 0.85 NR1H2 (0.35) MEN1KMT2ANR1H2
SCHEMBL9595653 0.85 NR1H2 (0.35) MEN1KMT2ANR1H2
SCHEMBL8108016 0.84 NR1H2 (0.32) MEN1KMT2ANR1H2
SCHEMBL8098400 0.83 NR1H2 (0.32) NR1H2

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-0545290-B1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 2000-08-23 EP disclosed
US-5550121-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed