SCHEMBL6944708

SCHEMBL6944708

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.37
HIF1A Q16665 1/20 0.36
HPGDS O60760 1/20 0.34
SMYD2 Q9NRG4 2/20 0.34
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL5724301 0.87 HIF1A (0.37) ACKR3HIF1AHPGDSSMYD2CYP3A4
SCHEMBL5724124 0.86 OGA (0.33) ACKR3HTT
SCHEMBL6949588 0.86 PIN1 (0.33) ACKR3HPGDSSMYD2CYP3A4HTT
SCHEMBL6945229 0.84 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL6945220 0.84 CTSK (0.34) ACKR3SMYD2ALPLALPIALPG
SCHEMBL6945217 0.84 CTSK (0.34) ACKR3SMYD2ALPLALPIALPG
SCHEMBL6945286 0.84 CNR1 (0.33) HPGDSSMYD2ALPLALPIALPG
SCHEMBL7075647 0.84 OGA (0.33) HPGDSSMYD2ALPLALPIALPG
SCHEMBL7075651 0.84 OGA (0.33) HPGDSSMYD2ALPLALPIALPG
SCHEMBL5724409 0.82 OGA (0.33) SMYD2ALPLALPIALPG

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