SCHEMBL25388151

SCHEMBL25388151

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.57
MMP3 P08254 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
EGLN1 Q9GZT9 2/20 0.53
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
PYGL P06737 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DEGS1 O15121 1/20 0.47

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
SCHEMBL735538 1.00 PLK1 (0.57) PLK1MMP3HDAC8EGLN1ALDH1A1
SCHEMBL25386182 1.00 PLK1 (0.57) PLK1MMP3HDAC8EGLN1ALDH1A1
SCHEMBL9828116 0.90 PLK1 (0.50) PLK1MMP3HDAC8EGLN1ALDH1A1
SCHEMBL9828124 0.90 PLK1 (0.50) PLK1MMP3HDAC8EGLN1ALDH1A1
SCHEMBL7031326 0.90 PLK1 (0.55) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL14316524 0.88 PLK1 (0.50) PLK1MMP3HDAC8EGLN1ALDH1A1
SCHEMBL10655055 0.86 PYGL (0.53) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL10655061 0.86 PYGL (0.53) PLK1MMP3HDAC8ALDH1A1LMNA
SCHEMBL9829673 0.85 GPR139 (0.49) PLK1MMP3HDAC8EGLN1ALDH1A1
SCHEMBL9829668 0.85 GPR139 (0.49) PLK1MMP3HDAC8EGLN1ALDH1A1

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
WO-2023172880-A2 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2023-09-14 WO disclosed