SCHEMBL9728638

SCHEMBL9728638

COc1ccc(COC(=O)[C@H]2CC(OC=O)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ATM Q13315 1/20 0.39
MAOB P27338 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9728630 1.00 GAA (0.44) GAAALDH1A1MAPK1L3MBTL1NPFFR1
SCHEMBL9727808 0.86 GAA (0.48) GAAALDH1A1MAPK1L3MBTL1NPFFR1
SCHEMBL9727869 0.86 GAA (0.48) GAAALDH1A1MAPK1L3MBTL1NPFFR1
SCHEMBL9205704 0.86 GAA (0.48) GAAALDH1A1MAPK1L3MBTL1NPFFR1
SCHEMBL9728346 0.86 GAA (0.48) GAAALDH1A1MAPK1L3MBTL1NPFFR1
SCHEMBL9728425 0.86 GAA (0.48) GAAALDH1A1MAPK1L3MBTL1NPFFR1
SCHEMBL9199841 0.86 GAA (0.48) GAAALDH1A1MAPK1L3MBTL1NPFFR1
SCHEMBL9207326 0.86 TDP1 (0.42) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL10367536 0.84 GAA (0.46) GAAALDH1A1MAPK1L3MBTL1NPFFR1
SCHEMBL10367534 0.84 GAA (0.46) GAAALDH1A1MAPK1L3MBTL1NPFFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5122604-A 2-(2-Carbonyl-substituted pyrrolidin-4-yl)carbapenems and -penems; microbiocides SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1992-06-16 US disclosed
US-4943569-A B-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-07-24 US disclosed
US-4933333-A β-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-06-12 US disclosed
EP-0126587-A1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-11-28 EP disclosed