SCHEMBL8748087

SCHEMBL8748087

N#Cc1ccc(OCCCCCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.56
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
MMP3 P08254 2/20 0.51
HRH2 P25021 4/20 0.50
HRH1 P35367 4/20 0.50
MMP2 P08253 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
MAOB P27338 1/20 0.48
ALDH3A1 P30838 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
TBXAS1 P24557 1/20 0.46

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
SCHEMBL1778067 0.98 HRH3 (0.58) HRH3ALDH1A1MAPTMMP3HRH2
SCHEMBL6731770 0.98 HRH3 (0.58) HRH3ALDH1A1MAPTMMP3HRH2
SCHEMBL6709103 0.94 MMP3 (0.59) HRH3ALDH1A1MMP3HRH2HRH1
SCHEMBL1714609 0.94 HRH3 (0.54) HRH3ALDH1A1MAPTMMP3HRH2
SCHEMBL5519875 0.91 HRH3 (0.62) HRH3ALDH1A1MAPTMMP3HRH2
SCHEMBL7447851 0.89 ALDH1A1 (0.53) HRH3ALDH1A1MAPTMMP3HRH2
SCHEMBL7387284 0.89 HRH3 (0.66) HRH3ALDH1A1MAPTMMP3HRH2
SCHEMBL7983991 0.89 HRH3 (0.66) HRH3ALDH1A1MAPTMMP3HRH2
SCHEMBL5526919 0.89 HRH3 (0.66) HRH3ALDH1A1MAPTMMP3HRH2
SCHEMBL12408526 0.89 HRH3 (0.66) HRH3ALDH1A1MAPTMMP3HRH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601977-B1 Aromatic hydroxyamidine derivatives and their use as leukotriene B4 receptor antagonists CIBA GEIGY AG (CH) 1997-01-22 EP disclosed
US-5455274-A Leukotriene antagonists; treating rheumatoid arthritis CIBA-GEIGY CORPORATION (US) 1995-10-03 US disclosed
EP-0601977-A1 Aromatic hydroxyamidine derivatives and their use as leukotriene B4 receptor anagonists CIBA-GEIGY AG (CH) 1994-06-15 EP disclosed