SCHEMBL9360244

SCHEMBL9360244

C=CCN(C)C/C=C/COc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 13/20 0.80
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3672712 0.89 LSS (0.78) LSS
SCHEMBL7681518 0.89 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7681511 0.89 LSS (1.00) LSSMEN1KMT2A
SCHEMBL3735360 0.89 LSS (0.78) LSSMEN1KMT2A
SCHEMBL3735362 0.89 LSS (0.78) LSSMEN1KMT2A
SCHEMBL7681522 0.89 LSS (1.00) LSSMEN1KMT2A
SCHEMBL3672715 0.89 LSS (0.78) LSS
Bromide SCHEMBL7677221 0.88 LSS (0.98) LSSMEN1KMT2A
Bromide SCHEMBL7677213 0.88 LSS (0.98) LSSMEN1KMT2A
SCHEMBL3674915 0.87 LSS (0.75) LSSALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410359-B1 Substituted aminoalkoxy-benzene-derivatives HOFFMANN LA ROCHE (CH) 1994-01-26 EP claimed
EP-0410359-A1 Substituted aminoalkoxy-benzene-derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-30 EP claimed
EP-0410359-B1 Substituted aminoalkoxy-benzene-derivatives HOFFMANN LA ROCHE (CH) 1994-01-26 EP disclosed
US-5214046-A Synergistic mixtures, inhibitors of sterol biosynthesis HOFFMANN-LA ROCHE INC. (US) 1993-05-25 US disclosed
US-5106878-A Synergistic effects with other fungicides HOFFMANN-LA ROCHE INC. (US) 1992-04-21 US disclosed
EP-0410359-A1 Substituted aminoalkoxy-benzene-derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-30 EP disclosed