SCHEMBL7075658

SCHEMBL7075658

CC(=O)SC1CN(c2nc(C(=O)N[C@@H](C(C)C)C(O[SiH](c3ccccc3)c3ccccc3)C(C)(C)C)cs2)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.34
PIN1 Q13526 3/20 0.32
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
ACACB O00763 1/20 0.30
CHEK1 O14757 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
SCHEMBL6944149 0.93 OGA (0.32) OGAPIN1ALPLALPIALPG
SCHEMBL5724277 0.89 OGA (0.35) OGAACACB
SCHEMBL6945223 0.89 CTSK (0.34) OGAPIN1ALPLALPIALPG
SCHEMBL6945289 0.89 ALPL (0.33) OGAPIN1ALPLALPIALPG
SCHEMBL5826410 0.82 ABCB1 (0.33) OGAACACB
SCHEMBL5724230 0.79 OGA (0.46) OGAPIN1ACACB
SCHEMBL5724238 0.78 ABCB1 (0.33) OGAACACB
SCHEMBL5724040 0.77 ABCB1 (0.33) OGAALPLALPIALPGACACB
SCHEMBL5724114 0.77 OGA (0.37) OGAACACB
SCHEMBL5724101 0.77 OGA (0.37) OGAACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340757-A1 1-METHYLCARBAPENEM DERIVATIVES Sankyo Company, Limited (JP) 2003-09-03 EP disclosed