SCHEMBL9830463

SCHEMBL9830463

O=C(O)CCNC(=O)CNC(=O)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.58
HPGD P15428 3/20 0.52
HDAC8 Q9BY41 2/20 0.50
MMP3 P08254 1/20 0.50
PLK1 P53350 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
MEN1 O00255 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
SCHEMBL2230132 0.84 HDAC8 (0.61) PPARGHPGDHDAC8MMP3PLK1
SCHEMBL9831671 0.81 PPARG (0.82) PPARGHPGDHDAC8MMP3PLK1
SCHEMBL18759306 0.81 KDM4E (0.52) PPARGHPGDHDAC8HDAC3HDAC4
SCHEMBL3796366 0.80 HDAC8 (0.56) HPGDHDAC8MMP3PLK1HDAC3
SCHEMBL9829444 0.79 PPARG (0.74) PPARGHPGDHDAC8MMP3HDAC3
SCHEMBL15741895 0.78 KMT2A (0.51) HPGDHDAC8MMP3PLK1HDAC3
SCHEMBL29370451 0.78 KMT2A (0.51) HPGDHDAC8MMP3PLK1HDAC3
SCHEMBL9829615 0.77 GAA (0.57) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL11479124 0.77 PPARG (0.60) PPARGHPGDHDAC8HDAC3HDAC4
SCHEMBL18457431 0.76 HDAC8 (0.59) PPARGHPGDHDAC8MMP3PLK1

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