SCHEMBL9728358

SCHEMBL9728358

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 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
MAOB P27338 1/20 0.39
MMP2 P08253 1/20 0.39
ANPEP P15144 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9728362 1.00 GAA (0.44) GAAALDH1A1MAPK1L3MBTL1KCNJ1
SCHEMBL9204319 0.92 GAA (0.43) GAAALDH1A1MAPK1L3MBTL1KCNJ1
SCHEMBL9041010 0.87 ATM (0.43) ALDH1A1L3MBTL1MAPTATMHPGD
SCHEMBL9728021 0.87 ATM (0.43) ALDH1A1L3MBTL1MAPTATMHPGD
SCHEMBL5095110 0.87 ATM (0.43) ALDH1A1L3MBTL1MAPTATMHPGD
SCHEMBL8541738 0.87 ATM (0.43) ALDH1A1L3MBTL1MAPTATMHPGD
SCHEMBL5108204 0.87 ATM (0.43) ALDH1A1L3MBTL1MAPTATMHPGD
SCHEMBL9381292 0.87 ATM (0.43) ALDH1A1L3MBTL1MAPTATMHPGD
SCHEMBL9202630 0.86 RAB9A (0.40) ALDH1A1L3MBTL1MAPTATMHPGD
SCHEMBL9204236 0.86 RAB9A (0.40) ALDH1A1L3MBTL1MAPTATMHPGD

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