SCHEMBL6944839

SCHEMBL6944839

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.52
DPP9 Q86TI2 1/20 0.52
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BMP1 P13497 1/20 0.46
MAPT P10636 2/20 0.45
RAB9A P51151 1/20 0.45
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.44
KCNJ1 P48048 1/20 0.43

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
SCHEMBL6944598 0.89 GAA (0.55) DPP8DPP9KMT2AGAAALDH1A1
SCHEMBL6941007 0.84 DPP8 (0.55) DPP8DPP9KMT2AGAAALDH1A1
SCHEMBL6943058 0.84 DPP8 (0.55) DPP8DPP9KMT2AGAAALDH1A1
SCHEMBL6943435 0.83 DPP8 (0.58) DPP8DPP9GAAALDH1A1MAPT
SCHEMBL6943983 0.78 DPP8 (0.49) DPP8DPP9KMT2AALDH1A1L3MBTL1
SCHEMBL6944182 0.77 ALDH1A1 (0.47) KMT2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL6944179 0.77 ALDH1A1 (0.47) KMT2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL11289563 0.76 DPP8 (0.55) DPP8DPP9KMT2AGAAALDH1A1
SCHEMBL6771408 0.76 KMT2A (0.55) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL6944603 0.76 GAA (0.51) DPP8DPP9KMT2AGAAALDH1A1

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