SCHEMBL8933772

SCHEMBL8933772

O=[N+]([O-])c1ccc(OCC2OCCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 1/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL7611507 0.82 ALDH1A1 (0.61) SIGMAR1MAPTSMN1; SMN2PTGS2LMNA
SCHEMBL517975 0.82 ALDH1A1 (0.61) SIGMAR1MAPTSMN1; SMN2PTGS2LMNA
SCHEMBL9737497 0.82 ALDH1A1 (0.61) SIGMAR1MAPTSMN1; SMN2PTGS2LMNA
SCHEMBL6641309 0.82 ALDH1A1 (0.61) SIGMAR1MAPTSMN1; SMN2PTGS2LMNA
SCHEMBL26639967 0.81 ALDH1A1 (0.49) SIGMAR1MAPTCTDSP1L3MBTL1LMNA
SCHEMBL11394554 0.81 ALDH1A1 (0.49) SIGMAR1MAPTCTDSP1L3MBTL1LMNA
SCHEMBL10895512 0.80 ALDH1A1 (0.48) SIGMAR1MAPTSMN1; SMN2CTDSP1L3MBTL1
SCHEMBL8807613 0.79 ALDH1A1 (0.49) MAPTSMN1; SMN2CTDSP1L3MBTL1PTGS2
SCHEMBL10556254 0.79 HTT (0.57) SIGMAR1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL11739927 0.78 MAPT (0.57) SIGMAR1MAPTSMN1; SMN2PTGS2LMNA

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-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 WO disclosed