SCHEMBL9360010

SCHEMBL9360010

CN(C)CCCCCCCCOc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.70
BCHE P06276 7/20 0.67
ACHE P22303 7/20 0.67
PPARA Q07869 1/20 0.64
KDM4E B2RXH2 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GAA P10253 1/20 0.60
PDE1A P54750 5/20 0.60
PDE1B Q01064 5/20 0.60
PDE1C Q14123 5/20 0.60

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
SCHEMBL9359814 1.00 LSS (0.70) LSSBCHEACHEPPARAKDM4E
SCHEMBL9360056 1.00 LSS (0.70) LSSBCHEACHEPPARAKDM4E
SCHEMBL9360004 1.00 LSS (0.70) LSSBCHEACHEPPARAKDM4E
SCHEMBL9360140 1.00 LSS (0.70) LSSBCHEACHEPPARAKDM4E
SCHEMBL9360007 1.00 LSS (0.70) LSSBCHEACHEPPARAKDM4E
SCHEMBL9364383 0.98 LSS (0.68) LSSBCHEACHEPPARAKDM4E
SCHEMBL11937428 0.94 BCHE (0.65) LSSBCHEACHEPPARAKDM4E
SCHEMBL7598659 0.89 ESR1 (0.69) LSSBCHEACHEPPARAKDM4E
Hydrochloric Acid SCHEMBL10536254 0.88 ESR1 (0.67) LSSBCHEACHEPPARAKDM4E
SCHEMBL6057567 0.88 ALDH1A1 (0.63) LSSBCHEACHEKDM4ESMN1; 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 2 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 disclosed
EP-0410359-A1 Substituted aminoalkoxy-benzene-derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-30 EP disclosed