SCHEMBL9828783

SCHEMBL9828783

O=C(O)CCC(NC(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.55
NAALAD2 Q9Y3Q0 3/20 0.51
PYGL P06737 1/20 0.50
MMP3 P08254 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
GAA P10253 1/20 0.50
PPARG P37231 1/20 0.49
PLK1 P53350 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GGH Q92820 1/20 0.48
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
RIMKLA Q8IXN7 1/20 0.46

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
SCHEMBL9828789 1.00 FOLH1 (0.55) FOLH1NAALAD2PYGLMMP3HDAC8
SCHEMBL9829821 0.92 PPARG (0.53) FOLH1PYGLMMP3HDAC8PPARG
SCHEMBL9829405 0.90 FOLH1 (0.54) FOLH1MMP3HDAC8PPARGPLK1
SCHEMBL8821265 0.88 HDAC8 (0.47) FOLH1MMP3HDAC8PPARGPLK1
SCHEMBL9830741 0.84 MMP3 (0.54) MMP3HDAC8PLK1NR1H4HPGD
SCHEMBL9830733 0.84 MMP3 (0.54) MMP3HDAC8PLK1NR1H4HPGD
SCHEMBL9716686 0.84 FNTA (0.49) FOLH1PYGLMMP3HDAC8PLK1
SCHEMBL9716690 0.84 FNTA (0.49) FOLH1PYGLMMP3HDAC8PLK1
SCHEMBL9828917 0.83 MMP3 (0.53) MMP3HDAC8PLK1NR1H4HPGD
SCHEMBL18067781 0.83 PLK1 (0.55) MMP3HDAC8PLK1NR1H4HPGD

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