SCHEMBL8112409

SCHEMBL8112409

CCOC(=O)C(C)C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.34
NR1H2 P55055 1/20 0.33
GLA P06280 1/20 0.32
SRC P12931 8/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CD O00329 1/20 0.31
VHL P40337 1/20 0.30
ELOC Q15369 1/20 0.30
ELOB Q15370 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8108361 1.00 ABCB1 (0.34) ABCB1NR1H2GLASRCMEN1
SCHEMBL8106596 0.91 ABCB1 (0.34) ABCB1NR1H2GLASRCMEN1
SCHEMBL9595521 0.89 ABCB1 (0.34) ABCB1NR1H2GLASRCMEN1
SCHEMBL8106554 0.87 ABCB1 (0.35) ABCB1NR1H2SRCVHLELOC
SCHEMBL9595418 0.87 ABCB1 (0.35) ABCB1NR1H2SRCVHLELOC
SCHEMBL9020345 0.86 ABCB1 (0.34) ABCB1NR1H2GLASRC
SCHEMBL9020499 0.84 ABCB1 (0.32) ABCB1
SCHEMBL12431668 0.84 NR1H2 (0.37) ABCB1NR1H2SRCMEN1KMT2A
SCHEMBL8107520 0.84 NR1H2 (0.34) ABCB1NR1H2SRC
SCHEMBL4669448 0.82 NR1H2 (0.35) ABCB1NR1H2SRCALDH1A1

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-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
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed