SCHEMBL9813087

SCHEMBL9813087

COc1cc(CN2CCOCC2)cc(C=C(C)CN2CCOCC2)c1O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.50
HTT P42858 1/20 0.45
MAPT P10636 7/20 0.45
KDM4E B2RXH2 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL7413309 0.83 GAA (0.55) GAAHTTMAPTKDM4ESMN1; SMN2
SCHEMBL10899727 0.82 GAA (0.71) GAAHTTMAPTKDM4ESMN1; SMN2
SCHEMBL9813043 0.80 GAA (0.52) GAAHTTMAPTKDM4ESMN1; SMN2
SCHEMBL16884075 0.72 KDM4E (0.67) GAAHTTMAPTKDM4ESMN1; SMN2
SCHEMBL21957070 0.71 HTT (0.67) GAAHTTMAPTKDM4ESMN1; SMN2
SCHEMBL9815602 0.71 MEN1 (0.46) GAAHTTKDM4EALDH1A1MAPK1
SCHEMBL4145433 0.71 HTT (0.66) HTTMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5784912 0.71 HTT (0.55) GAAHTTMAPTKDM4ESMN1; SMN2
SCHEMBL16883438 0.69 HTT (0.56) GAAHTTMAPTKDM4ESMN1; SMN2
SCHEMBL7370799 0.69 KDM4E (0.54) GAAHTTMAPTKDM4ESMN1; SMN2

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
EP-0266549-B1 CINNAMYL AMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-06-19 EP disclosed