SCHEMBL11566566

SCHEMBL11566566

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccc(O)cc3)[C@H]2SC1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.87
MAPT P10636 8/20 0.73
NR1I2 O75469 3/20 0.73
CTDSP1 Q9GZU7 3/20 0.73
HPGD P15428 2/20 0.73
DNMT1 P26358 2/20 0.73
SLC22A6 Q4U2R8 1/20 0.73
SLC22A8 Q8TCC7 1/20 0.73
SLC22A11 Q9NSA0 1/20 0.73
ESR1 P03372 1/20 0.70
PGR P06401 1/20 0.70
PTGS2 P35354 1/20 0.70
KDR P35968 1/20 0.70
L3MBTL1 Q9Y468 4/20 0.69
PTGS1 P23219 1/20 0.65
POLB P06746 4/20 0.60
HSD17B10 Q99714 3/20 0.60
CYP3A4 P08684 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 2/20 0.60

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
SCHEMBL11566449 0.93 TDP1 (0.86) TDP1MAPTNR1I2CTDSP1HPGD
Cefaloram SCHEMBL11057775 0.93 TDP1 (1.00) TDP1MAPTNR1I2CTDSP1HPGD
Cefaloram SCHEMBL612837 0.93 TDP1 (1.00) TDP1MAPTNR1I2CTDSP1HPGD
Cefaloram SCHEMBL11057780 0.93 TDP1 (1.00) TDP1MAPTNR1I2CTDSP1HPGD
Cefaloram SCHEMBL10428695 0.93 TDP1 (1.00) TDP1MAPTNR1I2CTDSP1HPGD
Cefaloram SCHEMBL612836 0.93 TDP1 (1.00) TDP1MAPTNR1I2CTDSP1HPGD
Cefaloram SCHEMBL27274373 0.93 TDP1 (1.00) TDP1MAPTNR1I2CTDSP1HPGD
SCHEMBL11597997 0.93 TDP1 (0.84) TDP1MAPTNR1I2CTDSP1HPGD
SCHEMBL12318186 0.93 TDP1 (0.84) TDP1MAPTNR1I2CTDSP1HPGD
SCHEMBL11469277 0.93 TDP1 (0.84) TDP1MAPTNR1I2CTDSP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160087-A BACTERICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-07-03 US disclosed
US-4156724-A N-acylamino-alpha-arylacetamido cephalosporins and antibacterial compositions and methods containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-05-29 US disclosed