SCHEMBL9360237

SCHEMBL9360237

CN(C)CCCCCCOc1ccc(C(=O)Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.61
ACHE P22303 7/20 0.61
EGFR P00533 2/20 0.59
THRA P10827 1/20 0.59
THRB P10828 1/20 0.59
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LTA4H P09960 1/20 0.53
LTB4R Q15722 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.53
PDE1A P54750 4/20 0.53
PDE1B Q01064 4/20 0.53
PDE1C Q14123 4/20 0.53

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
SCHEMBL9360046 0.95 BCHE (0.58) BCHEACHEEGFRTHRATHRB
SCHEMBL7602314 0.91 EGFR (0.63) BCHEACHEEGFRTHRATHRB
SCHEMBL9360115 0.87 EGFR (0.63) BCHEACHEEGFRTHRATHRB
SCHEMBL9824528 0.86 ALDH1A1 (0.57) BCHEACHETHRATHRBKDM4E
SCHEMBL7602709 0.85 LTA4H (0.61) BCHEACHEEGFRKDM4ELTA4H
SCHEMBL9360203 0.85 LSS (0.76) BCHEACHELTA4H
SCHEMBL9361471 0.83 STS (0.54) BCHEACHE
SCHEMBL9360140 0.83 LSS (0.70) BCHEACHEKDM4ESMN1; SMN2PDE1A
SCHEMBL9360056 0.83 LSS (0.70) BCHEACHEKDM4ESMN1; SMN2PDE1A
SCHEMBL9360010 0.83 LSS (0.70) BCHEACHEKDM4ESMN1; SMN2PDE1A

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