SCHEMBL7559273

SCHEMBL7559273

COc1ccc(CSC2CC(C(=O)N3CC(NC(=O)C(C)N(C(=O)OCc4ccc([N+](=O)[O-])cc4)C(N)=NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
HTRA1 Q92743 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
LMNA P02545 2/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL7458133 1.00 GAA (0.33) GAAKMT2AHTRA1ALDH1A1MAPK1
SCHEMBL7458126 0.96 ALDH1A1 (0.34) GAAKMT2AHTRA1ALDH1A1MAPK1
SCHEMBL7452598 0.96 ALDH1A1 (0.34) GAAKMT2AHTRA1ALDH1A1MAPK1
SCHEMBL7457436 0.89 ALDH1A1 (0.34) GAAHTRA1ALDH1A1MAPK1L3MBTL1
SCHEMBL7452662 0.87 ALDH1A1 (0.35) GAAHTRA1ALDH1A1MAPK1L3MBTL1
SCHEMBL7453618 0.87 HTRA1 (0.33) GAAHTRA1ALDH1A1MAPK1L3MBTL1
SCHEMBL7449752 0.87 DPP8 (0.32) ALDH1A1MAPTMMP2
SCHEMBL7457491 0.87 DPP8 (0.32) ALDH1A1MAPTMMP2
SCHEMBL8105057 0.87 DPP8 (0.32) ALDH1A1MAPTMMP2
SCHEMBL7452643 0.86 ALDH1A1 (0.34) GAAHTRA1ALDH1A1MAPK1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882728-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2002-09-04 EP disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed