SCHEMBL7810046

SCHEMBL7810046

CC(=O)OCCc1ccc(S(=O)(=O)OS(=O)(=O)Cl)c2ccccc12.[KH]

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.39
SLC2A1 P11166 1/20 0.33
ALDH1A1 P00352 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL7002514 0.86 RAD52 (0.43) RAD52SLC2A1ALDH1A1KEAP1NFE2L2
SCHEMBL6991493 0.83 RAD52 (0.43) RAD52SLC2A1ALDH1A1KEAP1NFE2L2
SCHEMBL8192669 0.82 RAD52 (0.44) RAD52SLC2A1ALDH1A1KEAP1NFE2L2
Potassium Ion SCHEMBL6991489 0.80 RAD52 (0.42) RAD52SLC2A1ALDH1A1KEAP1NFE2L2
Potassium Ion SCHEMBL7808419 0.80 RAD52 (0.38) RAD52SLC2A1ALDH1A1KEAP1NFE2L2
SCHEMBL6996170 0.76 CYP1A2 (0.43) RAD52SLC2A1
SCHEMBL7806143 0.73 THRB (0.34) RAD52ALDH1A1
Potassium Ion SCHEMBL6996169 0.72 RAD52 (0.39) RAD52KDM4E
SCHEMBL6993398 0.72 RAD52 (0.42) RAD52ALDH1A1KDM4ERECQL
SCHEMBL6203760 0.71 CCR8 (0.39) RAD52ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028962-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1023062-A4 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1027352-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-09-19 EP disclosed
EP-1028962-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-23 EP disclosed
EP-1027352-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-16 EP disclosed
EP-1023062-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1999020628-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999020627-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999018954-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-22 WO disclosed