SCHEMBL8536471

SCHEMBL8536471

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CC[C@H](NC(C)=NC(=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 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN2B Q13224 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 1/20 0.35
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTRA1 Q92743 1/20 0.34
TP53 P04637 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL8579494 0.95 ALDH1A1 (0.38) ALDH1A1GAAMAPK1L3MBTL1SMN1; SMN2
SCHEMBL8448655 0.91 GRIN2B (0.39) ALDH1A1GAAMAPK1L3MBTL1GRIN2B
SCHEMBL8444918 0.91 GRIN2B (0.39) ALDH1A1GAAMAPK1L3MBTL1GRIN2B
SCHEMBL8435157 0.90 SMN1; SMN2 (0.45) ALDH1A1GAAMAPK1L3MBTL1GRIN2B
SCHEMBL8436042 0.90 SMN1; SMN2 (0.45) ALDH1A1GAAMAPK1L3MBTL1GRIN2B
SCHEMBL7457369 0.89 ALDH1A1 (0.39) ALDH1A1GAAMAPK1L3MBTL1GRIN2B
SCHEMBL7458366 0.88 ALDH1A1 (0.36) ALDH1A1GAAMAPK1L3MBTL1GRIN2B
SCHEMBL7458362 0.88 ALDH1A1 (0.36) ALDH1A1GAAMAPK1L3MBTL1GRIN2B
SCHEMBL8436455 0.88 GAA (0.40) ALDH1A1GAAMAPK1L3MBTL1GRIN2B
SCHEMBL7458116 0.88 ALDH1A1 (0.42) ALDH1A1GAAMAPK1L3MBTL1GRIN2B

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
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed