SCHEMBL8106596

SCHEMBL8106596

CCOC(=O)C(C)CC[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 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.34
NR1H2 P55055 1/20 0.32
SRC P12931 8/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CD O00329 1/20 0.30
GLA P06280 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 0.91 ABCB1 (0.34) ABCB1NR1H2SRCMEN1KMT2A
SCHEMBL8112409 0.91 ABCB1 (0.34) ABCB1NR1H2SRCMEN1KMT2A
SCHEMBL8108567 0.86 ABCB1 (0.34) ABCB1NR1H2
SCHEMBL9595613 0.86 ABCB1 (0.34) ABCB1NR1H2
SCHEMBL8112383 0.85 ABCB1 (0.32) ABCB1PIK3CD
SCHEMBL2080032 0.85 SRC (0.35) ABCB1NR1H2SRCMEN1KMT2A
SCHEMBL8107847 0.85 SRC (0.35) ABCB1NR1H2SRCMEN1KMT2A
SCHEMBL9595521 0.84 ABCB1 (0.34) ABCB1NR1H2SRCMEN1KMT2A
SCHEMBL8112273 0.83 SRC (0.34) ABCB1NR1H2SRCMEN1KMT2A
SCHEMBL12431668 0.83 NR1H2 (0.37) ABCB1NR1H2SRCMEN1KMT2A

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