SCHEMBL6944598

SCHEMBL6944598

COc1ccc(COC(=O)N2CCN(C(=O)CNC(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6944839 0.89 DPP8 (0.52) GAAKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL11289563 0.88 DPP8 (0.55) GAAKMT2AALDH1A1MAPTMEN1
SCHEMBL6943058 0.83 DPP8 (0.55) GAAKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL6941007 0.83 DPP8 (0.55) GAAKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL6944079 0.82 DPP8 (0.52) GAAKMT2AALDH1A1MAPTMEN1
SCHEMBL6944182 0.80 ALDH1A1 (0.47) GAAKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL6944179 0.80 ALDH1A1 (0.47) GAAKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL6944603 0.79 GAA (0.51) GAAKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL31095868 0.78 TPSAB1 (0.49) KMT2AALDH1A1MAPTDPP8DPP9
SCHEMBL31095638 0.78 DPP8 (0.48) GAAKMT2AALDH1A1MAPTDPP8

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