SCHEMBL14367241

SCHEMBL14367241

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL14260874 1.00 MAPT (0.42) MAPTL3MBTL1ALDH1A1GAAHTT
SCHEMBL8340434 0.88 MAPT (0.43) MAPTL3MBTL1ALDH1A1GAAHTT
SCHEMBL14260875 0.88 MAPT (0.43) MAPTL3MBTL1ALDH1A1GAAHTT
SCHEMBL14260873 0.87 MAPT (0.43) MAPTL3MBTL1ALDH1A1GAAHTT
SCHEMBL8340048 0.87 MAPT (0.43) MAPTL3MBTL1ALDH1A1GAAHTT
SCHEMBL27771907 0.87 MAPT (0.43) MAPTL3MBTL1ALDH1A1GAAHTT
SCHEMBL8340243 0.86 MAPT (0.40) MAPTL3MBTL1ALDH1A1GAAHTT
SCHEMBL14260871 0.84 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2
SCHEMBL14393399 0.82 MAPT (0.40) MAPTL3MBTL1ALDH1A1GAAHTT
SCHEMBL14260872 0.82 MAPT (0.40) MAPTL3MBTL1ALDH1A1GAAHTT

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 1 patent. 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