SCHEMBL6945286

SCHEMBL6945286

CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)c1csc(N2CC(SC(C)=O)C2)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
PIN1 Q13526 4/20 0.32
OGA O60502 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
ACACB O00763 1/20 0.31
HPGDS O60760 1/20 0.31
P2RY12 Q9H244 1/20 0.30
ALK Q9UM73 1/20 0.30
SMYD2 Q9NRG4 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
SCHEMBL6949588 0.96 PIN1 (0.33) PIN1OGAALPLALPIALPG
SCHEMBL6945220 0.92 CTSK (0.34) PIN1OGAALPLALPIALPG
SCHEMBL5724409 0.92 OGA (0.33) PIN1OGAALPLALPIALPG
SCHEMBL6945217 0.92 CTSK (0.34) PIN1OGAALPLALPIALPG
SCHEMBL6944143 0.90 OGA (0.32) PIN1OGAALPLALPIALPG
SCHEMBL7075651 0.89 OGA (0.33) PIN1OGAALPLALPIALPG
SCHEMBL7075647 0.89 OGA (0.33) PIN1OGAALPLALPIALPG
SCHEMBL5723646 0.88 CNR1 (0.34) CNR1PIN1OGAALPLALPI
SCHEMBL5723642 0.88 CNR1 (0.34) CNR1PIN1OGAALPLALPI
SCHEMBL5724033 0.87 OGA (0.34) OGAALPLALPIALPGACACB

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