Cefoperazone

Cefoperazone

SCHEMBL1963141

CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O.CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Cefoperazone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.65
MAPT P10636 5/20 0.65
SLC22A6 Q4U2R8 3/20 0.65
SLC22A8 Q8TCC7 3/20 0.65
SLC22A11 Q9NSA0 3/20 0.65
PDE3A Q14432 1/20 0.65
HSD17B10 Q99714 6/20 0.65
THRB P10828 1/20 0.65
TSHR P16473 1/20 0.65
NR1I2 O75469 4/20 0.59
PGR P06401 4/20 0.59
PPARG P37231 3/20 0.59
ESR1 P03372 1/20 0.59
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
APEX1 P27695 2/20 0.46
CYP2D6 P10635 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 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
Cefoperazone SCHEMBL28086380 0.87 MAPT (0.75) TDP1MAPTSLC22A6SLC22A8SLC22A11
Ceftazidime SCHEMBL9867976 0.86 NR1I2 (0.69) TDP1MAPTSLC22A6SLC22A8SLC22A11
Cefoperazone SCHEMBL1832806 0.86 MAPT (0.72) TDP1MAPTSLC22A6SLC22A8SLC22A11
Cefoperazone SCHEMBL10692471 0.85 MAPT (0.71) TDP1MAPTSLC22A6SLC22A8SLC22A11
Cefoperazone SCHEMBL16093919 0.85 MAPT (0.71) TDP1MAPTSLC22A6SLC22A8SLC22A11
Cefoperazone SCHEMBL22532797 0.84 MAPT (0.73) TDP1MAPTSLC22A6SLC22A8SLC22A11
Ceftazidime SCHEMBL8507098 0.83 NR1I2 (0.65) TDP1MAPTHSD17B10NR1I2PGR
Ceftazidime SCHEMBL715368 0.81 NR1I2 (0.58) TDP1MAPTSLC22A6SLC22A8SLC22A11
Cefoperazone SCHEMBL537680 0.81 TDP1 (1.00) TDP1MAPTSLC22A6SLC22A8SLC22A11
Cefoperazone SCHEMBL18061225 0.81 MAPT (1.00) TDP1MAPTSLC22A6SLC22A8SLC22A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011069197-A1 INHALABLE FORMULATIONS THE UNIVERSITY OF SYDNEY (AU) 2011-06-16 WO disclosed