SCHEMBL6946869

SCHEMBL6946869

COc1ccc(COC(=O)N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 1/20 0.42
GRIN2B Q13224 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL9728346 0.88 GAA (0.48) GAAALDH1A1L3MBTL1MAPK1KCNJ1
SCHEMBL9199841 0.88 GAA (0.48) GAAALDH1A1L3MBTL1MAPK1KCNJ1
SCHEMBL9727869 0.88 GAA (0.48) GAAALDH1A1L3MBTL1MAPK1KCNJ1
SCHEMBL9728425 0.88 GAA (0.48) GAAALDH1A1L3MBTL1MAPK1KCNJ1
SCHEMBL9727808 0.88 GAA (0.48) GAAALDH1A1L3MBTL1MAPK1KCNJ1
SCHEMBL9205704 0.88 GAA (0.48) GAAALDH1A1L3MBTL1MAPK1KCNJ1
SCHEMBL6945782 0.84 MMP9 (0.42) GAAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL9127639 0.82 KCNJ1 (0.41) GAAALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL8437967 0.82 KCNJ1 (0.40) KCNJ1KCNH2
SCHEMBL8438088 0.82 KCNJ1 (0.40) KCNJ1KCNH2

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
EP-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 EP disclosed
US-5559224-A Carbepenem derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed