SCHEMBL9360246

SCHEMBL9360246

C=CCCNCC=CCOc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.46
ALDH1A1 P00352 9/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 6/20 0.43
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SRD5A2 P31213 1/20 0.43
PPARA Q07869 1/20 0.42
MAPT P10636 2/20 0.42
FFAR1 O14842 1/20 0.41
KMT2A Q03164 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL8035630 0.89 LSS (0.60) LSSALDH1A1LMNARAB9ANPC1
SCHEMBL8045307 0.89 LSS (0.46) LSSALDH1A1LMNAHPGDRAB9A
SCHEMBL8049755 0.89 LSS (0.46) LSSALDH1A1LMNAHPGDRAB9A
SCHEMBL8046483 0.87 LSS (0.44) LSSALDH1A1LMNAGAARAB9A
SCHEMBL8052792 0.86 LSS (0.43) LSSALDH1A1GAARAB9ANPC1
SCHEMBL8035335 0.85 LSS (0.48) LSSALDH1A1SMN1; SMN2SRD5A2MAPT
SCHEMBL8045026 0.80 MAPT (0.48) LSSALDH1A1LMNAHPGDGAA
SCHEMBL9364402 0.79 LSS (0.59) LSSALDH1A1LMNAGAARAB9A
SCHEMBL2972344 0.78 GAA (0.60) LSSALDH1A1LMNAHPGDGAA
SCHEMBL8044974 0.78 S1PR1 (0.40) LSSALDH1A1HPGDRAB9ANPC1

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