SCHEMBL9829673

SCHEMBL9829673

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 4/20 0.49
PLK1 P53350 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HDAC8 Q9BY41 2/20 0.46
MMP3 P08254 1/20 0.46
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
EGLN1 Q9GZT9 2/20 0.44
PPARG P37231 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
SCHEMBL9829668 1.00 GPR139 (0.49) GPR139PLK1ALDH1A1HDAC8MMP3
SCHEMBL9830965 0.92 CTSB (0.48) GPR139PLK1ALDH1A1HDAC8MMP3
SCHEMBL9830972 0.92 CTSB (0.48) GPR139PLK1ALDH1A1HDAC8MMP3
SCHEMBL25388151 0.85 PLK1 (0.57) PLK1ALDH1A1HDAC8MMP3HPGD
SCHEMBL735538 0.85 PLK1 (0.57) PLK1ALDH1A1HDAC8MMP3HPGD
SCHEMBL25386182 0.85 PLK1 (0.57) PLK1ALDH1A1HDAC8MMP3HPGD
SCHEMBL10053691 0.81 PLK1 (0.49) GPR139PLK1HDAC8MMP3HPGD
SCHEMBL9830492 0.80 GPR139 (0.67) GPR139ALDH1A1MEN1KMT2A
SCHEMBL9830497 0.80 GPR139 (0.67) GPR139ALDH1A1MEN1KMT2A
SCHEMBL9828116 0.80 PLK1 (0.50) PLK1ALDH1A1HDAC8MMP3HPGD

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