SCHEMBL11316610

SCHEMBL11316610

O=C(Cc1ccccc1)NC1C(=O)N2C(C(=O)O)=C(COC(=O)N3CCN(CCO)CC3)CS[C@H]12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.70
CTDSP1 Q9GZU7 2/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 5/20 0.55
NR1I2 O75469 4/20 0.55
HPGD P15428 2/20 0.55
DNMT1 P26358 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
SLC22A11 Q9NSA0 1/20 0.55
POLB P06746 2/20 0.54
PKM P14618 2/20 0.54
HTT P42858 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
PTPN11 Q06124 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
PTGS1 P23219 1/20 0.51
PGR P06401 2/20 0.50
ESR1 P03372 1/20 0.50

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
SCHEMBL11473194 0.91 TDP1 (0.76) TDP1CTDSP1MAPK1MAPTNR1I2
SCHEMBL11136370 0.91 TDP1 (0.76) TDP1CTDSP1MAPK1MAPTNR1I2
Trifluoroacetic Acid SCHEMBL11139729 0.86 TDP1 (0.69) TDP1CTDSP1MAPK1MAPTNR1I2
Trifluoroacetic Acid SCHEMBL11139726 0.86 TDP1 (0.69) TDP1CTDSP1MAPK1MAPTNR1I2
Cefaloram SCHEMBL612837 0.82 TDP1 (1.00) TDP1CTDSP1MAPK1MAPTNR1I2
SCHEMBL14300064 0.82 TDP1 (0.82) TDP1CTDSP1MAPK1MAPTNR1I2
Cefaloram SCHEMBL612836 0.82 TDP1 (1.00) TDP1CTDSP1MAPK1MAPTNR1I2
Cefaloram SCHEMBL10428695 0.82 TDP1 (1.00) TDP1CTDSP1MAPK1MAPTNR1I2
Cefaloram SCHEMBL11057780 0.82 TDP1 (1.00) TDP1CTDSP1MAPK1MAPTNR1I2
Cefaloram SCHEMBL11057775 0.82 TDP1 (1.00) TDP1CTDSP1MAPK1MAPTNR1I2

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
EP-0010313-B1 3,7-DISUBSTITUTED-2- OR -3-CEPHEM-4-CARBOXYLIC ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-26 EP disclosed