SCHEMBL6945857

SCHEMBL6945857

COc1ccc(CSC[C@@H](NC(=O)OCc2ccc([N+](=O)[O-])cc2)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.53
PPARG P37231 3/20 0.53
CACNA1B Q00975 1/20 0.52
GAA P10253 2/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ACE P12821 2/20 0.49
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
TGM2 P21980 1/20 0.45
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
HTR2A P28223 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
SCHEMBL6942912 0.93 PPARA (0.62) PPARAPPARGGAAALDH1A1MAPK1
SCHEMBL6942909 0.93 PPARA (0.62) PPARAPPARGGAAALDH1A1MAPK1
SCHEMBL10580231 0.88 PPARA (0.50) PPARAPPARGGAAALDH1A1MAPK1
SCHEMBL11774358 0.84 PPARA (0.56) PPARAPPARGACEHDAC1HDAC2
SCHEMBL6944182 0.83 ALDH1A1 (0.47) PPARAPPARGCACNA1BGAAALDH1A1
SCHEMBL6944179 0.83 ALDH1A1 (0.47) PPARAPPARGCACNA1BGAAALDH1A1
SCHEMBL9299418 0.80 PPARA (0.74) PPARAPPARGACEATM
SCHEMBL9299417 0.80 PPARA (0.74) PPARAPPARGACEATM
SCHEMBL9840640 0.80 GAA (0.51) GAAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL3869417 0.79 PPARG (0.74) PPARAPPARGALDH1A1ACELMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 EP disclosed
US-5559224-A Carbepenem derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed