SCHEMBL7075651

SCHEMBL7075651

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.33
PIN1 Q13526 4/20 0.32
SMYD2 Q9NRG4 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
ABCB1 P08183 1/20 0.31
ALK Q9UM73 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSK P43235 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
SCHEMBL7075647 1.00 OGA (0.33) OGAPIN1SMYD2ALPLALPI
SCHEMBL6944143 0.93 OGA (0.32) OGAPIN1SMYD2ALPLALPI
SCHEMBL6949588 0.91 PIN1 (0.33) OGAPIN1SMYD2ALPLALPI
SCHEMBL6945217 0.89 CTSK (0.34) OGAPIN1SMYD2ALPLALPI
SCHEMBL6945220 0.89 CTSK (0.34) OGAPIN1SMYD2ALPLALPI
SCHEMBL6945286 0.89 CNR1 (0.33) OGAPIN1SMYD2ALPLALPI
SCHEMBL5724409 0.88 OGA (0.33) OGAPIN1SMYD2ALPLALPI
SCHEMBL5724265 0.87 OGA (0.36) OGAALPLALPIALPGACACB
SCHEMBL5724268 0.87 OGA (0.36) OGAALPLALPIALPGACACB
SCHEMBL6944708 0.84 ACKR3 (0.37) SMYD2ALPLALPIALPGHPGDS

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