SCHEMBL3980588

SCHEMBL3980588

O=C(Cl)C(=O)C(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
GSR P00390 1/20 0.40
FBP1 P09467 1/20 0.39
SRC P12931 2/20 0.39
CYP2D6 P10635 1/20 0.39
ACP3 P15309 1/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
ADAM17 P78536 1/20 0.38
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5682414 0.86 GSR (0.41) CES2CES1GSRFBP1SRC
SCHEMBL1538911 0.84 CES2 (0.43) CES2CES1GSRFBP1SRC
SCHEMBL74691 0.82 SRC (0.48) CES2CES1GSRSRCCYP2D6
SCHEMBL5692151 0.80 GSR (0.42) CES2CES1GSRSRCCYP2D6
SCHEMBL11602886 0.80 SRC (0.46) CES2CES1GSRSRCCYP2D6
SCHEMBL11602507 0.80 SRC (0.46) CES2CES1GSRSRCCYP2D6
SCHEMBL887039 0.80 SRC (0.46) CES2CES1GSRSRCCYP2D6
SCHEMBL4423313 0.79 GSR (0.44) CES2CES1GSRSRCCYP2D6
SCHEMBL11602511 0.78 GSR (0.41) CES2CES1GSRSRCCYP2D6
SCHEMBL7426840 0.78 GSR (0.41) CES2CES1GSRSRCCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590978-A2 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY FOB Synthesis, Inc. (US) 2013-05-15 EP disclosed
WO-2011160020-A2 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY FOB SYNTHESIS (US) 2011-12-22 WO disclosed
EP-1765821-A4 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS INC (US) 2009-05-20 EP disclosed
EP-1765326-A4 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS INC (US) 2009-05-13 EP disclosed
EP-1765326-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2007-03-28 EP disclosed
EP-1765821-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2007-03-28 EP disclosed
CN-1305875-C Substituted 2-benzoyl piperazine methyl penem compound, and its preparing method and use MEDICINAL BIOTECHNOLOGY INST C (CN) 2007-03-21 CN disclosed
WO-2005123069-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC. (US) 2005-12-29 WO disclosed
WO-2005123066-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC. (US) 2005-12-29 WO disclosed
CN-1676526-A Substituted 2-benzoyl piperazine methyl penem compound, and its preparing method and use MEDICINAL BIOTECHNOLOGY INST C (CN) 2005-10-05 CN disclosed
EP-0876377-A1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS VIA REDUCTIVE DICARBONYL CYCLIZATION INDUCED BY TRIALKYL PHOSPHITE OF 4-THIOAZETIDINONE DERIVATIVES OBTAINED FROM PENICILLINS 3 EXO S.r.l. (IT) 1998-11-11 EP disclosed
WO-1997020848-A1 PROCESS FOR THE PREPARATION OF CEPHALOSPORINS VIA REDUCTIVE DICARBONYL CYCLIZATION INDUCED BY TRIALKYL PHOSPHITE OF 4-THIOAZETIDINONE DERIVATIVES OBTAINED FROM PENICILLINS 3 EXO S.R.L. (IT) 1997-06-12 WO disclosed