SCHEMBL8448646

SCHEMBL8448646

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
GRIN2B Q13224 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TPSAB1 Q15661 2/20 0.35
TPSD1 Q9BZJ3 2/20 0.35
TPSG1 Q9NRR2 2/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
MMP7 P09237 2/20 0.34
MMP9 P14780 2/20 0.34
MMP2 P08253 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
SCHEMBL8444911 1.00 GAA (0.41) GAAGRIN2BALDH1A1MAPK1L3MBTL1
SCHEMBL8436455 0.90 GAA (0.40) GAAGRIN2BALDH1A1MAPK1L3MBTL1
SCHEMBL8444918 0.89 GRIN2B (0.39) GAAGRIN2BALDH1A1MAPK1L3MBTL1
SCHEMBL8448655 0.89 GRIN2B (0.39) GAAGRIN2BALDH1A1MAPK1L3MBTL1
SCHEMBL8447149 0.88 ALDH1A1 (0.40) GAAGRIN2BALDH1A1MAPK1L3MBTL1
SCHEMBL8445629 0.86 GRIN2B (0.39) GAAGRIN2BALDH1A1MAPK1L3MBTL1
SCHEMBL8579491 0.86 GAA (0.42) GAAGRIN2BALDH1A1MAPK1L3MBTL1
SCHEMBL8445627 0.86 GRIN2B (0.39) GAAGRIN2BALDH1A1MAPK1L3MBTL1
SCHEMBL8445887 0.85 TPSAB1 (0.40) GAAGRIN2BALDH1A1TPSAB1TPSD1
SCHEMBL8444889 0.85 TPSAB1 (0.40) GAAGRIN2BALDH1A1TPSAB1TPSD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977097-A 1-methylcarbapenem derivatives SANKYO COMPANY LIMITED (JP) 1999-11-02 US disclosed
EP-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed