SCHEMBL7458366

SCHEMBL7458366

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)CNC(=NC(=O)OCc4ccc([N+](=O)[O-])cc4)NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR2 P41597 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN2B Q13224 1/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL7458362 1.00 ALDH1A1 (0.36) ALDH1A1GAASMN1; SMN2PKMHTT
SCHEMBL7457425 0.96 GAA (0.37) ALDH1A1GAASMN1; SMN2PKMHTT
SCHEMBL7457444 0.96 GAA (0.37) ALDH1A1GAASMN1; SMN2PKMHTT
SCHEMBL7458363 0.93 ALDH1A1 (0.36) ALDH1A1GAASMN1; SMN2PKMHTT
SCHEMBL7458358 0.93 ALDH1A1 (0.36) ALDH1A1GAASMN1; SMN2PKMHTT
SCHEMBL8095133 0.93 GAA (0.38) ALDH1A1GAASMN1; SMN2PKMHTT
SCHEMBL8095140 0.93 GAA (0.38) ALDH1A1GAASMN1; SMN2PKMHTT
SCHEMBL7457369 0.92 ALDH1A1 (0.39) ALDH1A1GAASMN1; SMN2PKMHTT
SCHEMBL7456374 0.90 ALDH1A1 (0.36) ALDH1A1GAASMN1; SMN2PKMHTT
SCHEMBL7456379 0.90 ALDH1A1 (0.36) ALDH1A1GAASMN1; SMN2PKMHTT

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