SCHEMBL6945217

SCHEMBL6945217

CC(=O)SC1CN(c2nc(C(=O)NC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(C)C)cs2)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
OGA O60502 2/20 0.33
CNR2 P34972 5/20 0.32
PSMB5 P28074 1/20 0.32
PIN1 Q13526 2/20 0.32
SMYD2 Q9NRG4 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
ACACB O00763 1/20 0.30
ACKR3 P25106 1/20 0.30
TNKS O95271 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
SCHEMBL6945220 1.00 CTSK (0.34) CTSKCTSLCTSBOGACNR2
SCHEMBL6949588 0.94 PIN1 (0.33) OGAPIN1SMYD2ALPLALPI
SCHEMBL6945286 0.92 CNR1 (0.33) OGAPIN1SMYD2ALPLALPI
SCHEMBL5724409 0.91 OGA (0.33) OGAPIN1SMYD2ALPLALPI
SCHEMBL7075647 0.89 OGA (0.33) CTSKCTSLCTSBOGAPIN1
SCHEMBL7075651 0.89 OGA (0.33) CTSKCTSLCTSBOGAPIN1
SCHEMBL5723703 0.88 CNR2 (0.35) CTSKCTSLCTSBOGACNR2
SCHEMBL5724234 0.87 OGA (0.35) OGACNR2ALPLALPIALPG
SCHEMBL5724233 0.87 OGA (0.35) OGACNR2ALPLALPIALPG
SCHEMBL6944143 0.87 OGA (0.32) OGAPIN1SMYD2ALPLALPI

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