SCHEMBL9828124

SCHEMBL9828124

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
CTSB P07858 1/20 0.49
MMP3 P08254 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
EGLN1 Q9GZT9 2/20 0.45
PYGL P06737 1/20 0.45
CYP2C9 P11712 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MME P08473 1/20 0.43
HPGD P15428 2/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9828116 1.00 PLK1 (0.50) PLK1CTSBMMP3HDAC8ALDH1A1
SCHEMBL25388151 0.90 PLK1 (0.57) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL735538 0.90 PLK1 (0.57) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL25386182 0.90 PLK1 (0.57) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL9830965 0.87 CTSB (0.48) PLK1CTSBMMP3HDAC8ALDH1A1
SCHEMBL9830972 0.87 CTSB (0.48) PLK1CTSBMMP3HDAC8ALDH1A1
SCHEMBL9831137 0.84 PLK1 (0.60) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL2405015 0.84 PLK1 (0.60) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL14316524 0.84 PLK1 (0.50) PLK1CTSBMMP3HDAC8ALDH1A1
SCHEMBL7031326 0.81 PLK1 (0.55) PLK1MMP3HDAC8ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed