SCHEMBL8340243

SCHEMBL8340243

CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](Oc1ccc(F)cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
FBP1 P09467 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN9A Q15858 1/20 0.36
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14393401 0.86 CTSK (0.38) MAPTCTSSCTSKSCN9A
SCHEMBL14367241 0.86 MAPT (0.42) MAPTALDH1A1HTTL3MBTL1GAA
SCHEMBL14260874 0.86 MAPT (0.42) MAPTALDH1A1HTTL3MBTL1GAA
SCHEMBL14260875 0.82 MAPT (0.43) MAPTALDH1A1HTTFBP1L3MBTL1
SCHEMBL8340434 0.82 MAPT (0.43) MAPTALDH1A1HTTFBP1L3MBTL1
SCHEMBL8340048 0.81 MAPT (0.43) MAPTALDH1A1HTTFBP1L3MBTL1
SCHEMBL14260873 0.81 MAPT (0.43) MAPTALDH1A1HTTFBP1L3MBTL1
SCHEMBL27771907 0.81 MAPT (0.43) MAPTALDH1A1HTTFBP1L3MBTL1
SCHEMBL4121000 0.80 ALDH1A1 (0.43) MAPTALDH1A1HTTCTSSCTSK
SCHEMBL4121004 0.80 ALDH1A1 (0.43) MAPTALDH1A1HTTCTSSCTSK

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-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO disclosed