SCHEMBL6942909

SCHEMBL6942909

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.62
PPARG P37231 5/20 0.62
ACE P12821 3/20 0.58
TGM2 P21980 1/20 0.51
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATM Q13315 1/20 0.49
CTSL P07711 3/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARD Q03181 1/20 0.45

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 1.00 PPARA (0.62) PPARAPPARGACETGM2GAA
SCHEMBL6945857 0.93 PPARA (0.53) PPARAPPARGACETGM2GAA
SCHEMBL10580231 0.89 PPARA (0.50) PPARAPPARGACETGM2GAA
SCHEMBL9299418 0.87 PPARA (0.74) PPARAPPARGACEATMCTSL
SCHEMBL9299417 0.87 PPARA (0.74) PPARAPPARGACEATMCTSL
SCHEMBL11774358 0.83 PPARA (0.56) PPARAPPARGACECTSLHTT
SCHEMBL8842748 0.79 TGM2 (0.61) PPARAPPARGTGM2CTSL
SCHEMBL8842741 0.79 TGM2 (0.61) PPARAPPARGTGM2CTSL
SCHEMBL9299216 0.79 PPARA (0.62) PPARAPPARGACEATMCTSL
SCHEMBL9299211 0.79 PPARA (0.62) PPARAPPARGACEATMCTSL

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