SCHEMBL9851898

SCHEMBL9851898

CN(C)CCCCCCCCCOc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.68
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 3/20 0.67
LTA4H P09960 2/20 0.65
KCNA3 P22001 1/20 0.64
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
BCHE P06276 2/20 0.57
ACHE P22303 2/20 0.57
MAPT P10636 1/20 0.56

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
SCHEMBL9491062 1.00 LSS (0.68) LSSKDM4EALDH1A1LTA4HKCNA3
SCHEMBL9851880 1.00 LSS (0.68) LSSKDM4EALDH1A1LTA4HKCNA3
SCHEMBL9851895 1.00 LSS (0.68) LSSKDM4EALDH1A1LTA4HKCNA3
SCHEMBL9851879 0.98 LSS (0.70) LSSKDM4EALDH1A1LTA4HKCNA3
SCHEMBL4632841 0.92 LSS (0.79) LSSKDM4EALDH1A1LTA4HKCNA3
Ethylamine SCHEMBL9872082 0.91 KDM4E (0.66) LSSKDM4EALDH1A1LTA4HKCNA3
SCHEMBL10678430 0.89 LSS (0.87) LSSKDM4EALDH1A1LTA4HSMN1; SMN2
SCHEMBL10683734 0.89 LSS (0.87) LSSKDM4EALDH1A1LTA4HSMN1; SMN2
SCHEMBL10682570 0.89 LSS (0.87) LSSKDM4EALDH1A1LTA4HSMN1; SMN2
SCHEMBL10682555 0.89 LSS (0.87) LSSKDM4EALDH1A1LTA4HSMN1; 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-0410359-A1 Substituted aminoalkoxy-benzene-derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-30 EP disclosed