SCHEMBL9829627

SCHEMBL9829627

O=C(N[C@H](C(=O)O)C(O)C(=O)O)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
PLK1 P53350 1/20 0.53
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
CXCR5 P32302 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DEGS1 O15121 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CDC25B P30305 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
GFER P55789 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9829621 1.00 MMP3 (0.54) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL7031326 0.87 PLK1 (0.55) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL9831299 0.85 MMP3 (0.51) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL9831304 0.85 MMP3 (0.51) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL25388151 0.85 PLK1 (0.57) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL735538 0.85 PLK1 (0.57) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL25386182 0.85 PLK1 (0.57) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL9831235 0.83 HDAC8 (0.49) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL9831229 0.83 HDAC8 (0.49) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL10655055 0.80 PYGL (0.53) MMP3HDAC8PLK1NR4A1NR4A2

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