SCHEMBL6943058

SCHEMBL6943058

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.55
DPP9 Q86TI2 1/20 0.55
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BMP1 P13497 1/20 0.44
KMT2A Q03164 3/20 0.43
P2RX7 Q99572 1/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL6941007 1.00 DPP8 (0.55) DPP8DPP9GAAMAPTRAB9A
SCHEMBL6943478 0.84 DPP8 (0.61) DPP8DPP9GAAMAPTALDH1A1
SCHEMBL6944839 0.84 DPP8 (0.52) DPP8DPP9GAAMAPTRAB9A
SCHEMBL6944598 0.83 GAA (0.55) DPP8DPP9GAAMAPTRAB9A
SCHEMBL6944603 0.80 GAA (0.51) DPP8DPP9GAAMAPTRAB9A
SCHEMBL6945227 0.80 DPP8 (0.51) DPP8DPP9MAPTALDH1A1P2RX7
SCHEMBL6913164 0.76 TGM2 (0.54) DPP8DPP9GAAMAPTRAB9A
SCHEMBL6944179 0.74 ALDH1A1 (0.47) GAAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL6944182 0.74 ALDH1A1 (0.47) GAAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL6944285 0.74 DPP8 (0.45) DPP8DPP9KMT2AP2RX7

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