SCHEMBL14970552

SCHEMBL14970552

CCC(C)c1ccccc1OCCN1CCCC(C)C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
KDM4E B2RXH2 7/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
HRH3 Q9Y5N1 5/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL14970451 0.85 HTT (0.66) HTTKDM4EL3MBTL1HRH3ALDH1A1
SCHEMBL19216371 0.80 TDP1 (0.69) KDM4EHRH3ALDH1A1LMNAMEN1
SCHEMBL17848522 0.79 HRH3 (0.59) KDM4EHRH3ALDH1A1LMNAMEN1
SCHEMBL17848423 0.79 TSHR (0.66) KDM4EL3MBTL1HRH3ALDH1A1LMNA
SCHEMBL14970718 0.78 L3MBTL1 (0.90) HTTKDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL14970587 0.78 L3MBTL1 (0.90) HTTKDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL19389876 0.76 KDM4E (0.75) KDM4EHRH3ALDH1A1LMNA
SCHEMBL11173592 0.75 KDM4E (0.61) KDM4EHRH3ALDH1A1LMNAMEN1
SCHEMBL7221127 0.73 HRH3 (0.57) KDM4EHRH3ALDH1A1LMNAMEN1
SCHEMBL14084433 0.73 L3MBTL1 (0.73) HTTKDM4EL3MBTL1ALDH1A1TDP1

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
WO-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed