SCHEMBL8436455

SCHEMBL8436455

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIN2B Q13224 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL8579491 0.95 GAA (0.42) GAAALDH1A1MAPK1L3MBTL1GRIN2B
SCHEMBL8436042 0.92 SMN1; SMN2 (0.45) GAAALDH1A1MAPK1L3MBTL1GRIN2B
SCHEMBL8435157 0.92 SMN1; SMN2 (0.45) GAAALDH1A1MAPK1L3MBTL1GRIN2B
SCHEMBL8444911 0.90 GAA (0.41) GAAALDH1A1MAPK1L3MBTL1GRIN2B
SCHEMBL8448646 0.90 GAA (0.41) GAAALDH1A1MAPK1L3MBTL1GRIN2B
SCHEMBL7458116 0.89 ALDH1A1 (0.42) GAAALDH1A1MAPK1L3MBTL1GRIN2B
SCHEMBL7458108 0.89 ALDH1A1 (0.42) GAAALDH1A1MAPK1L3MBTL1GRIN2B
SCHEMBL8094981 0.88 ALDH1A1 (0.40) GAAALDH1A1MAPK1L3MBTL1GRIN2B
SCHEMBL8536471 0.88 ALDH1A1 (0.40) GAAALDH1A1MAPK1L3MBTL1GRIN2B
SCHEMBL8438096 0.87 ALDH1A1 (0.44) GAAALDH1A1MAPK1L3MBTL1GRIN2B

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
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed