SCHEMBL4758206

SCHEMBL4758206

CCOC(=O)C=Nc1ccc(OC)c(O)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 5/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ MAOB P27338 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ FDPS P14324 1/20 0.36
▸ 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
SCHEMBL15850863 0.75 MAPT (0.53) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL11446696 0.74 FDPS (0.51) ALDH1A1KDM4ETDP1POLBCTDSP1
SCHEMBL11446697 0.74 FDPS (0.51) ALDH1A1KDM4ETDP1POLBCTDSP1
SCHEMBL29338761 0.73 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1MAPTGAA
SCHEMBL8378021 0.71 SMN1; SMN2 (0.47) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL8378025 0.71 SMN1; SMN2 (0.47) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL8379977 0.70 HTT (0.48) ALDH1A1TDP1MAPTGAAMAPK1
SCHEMBL8379979 0.70 HTT (0.48) ALDH1A1TDP1MAPTGAAMAPK1
SCHEMBL16535350 0.70 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL16535351 0.70 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1POLBMAPT

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
WO-2009001126-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBATERIAL AGENTS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
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