SCHEMBL8833465

SCHEMBL8833465

N#Cc1ccc(-c2ccc(OCCCCN)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.57
MMP2 P08253 5/20 0.57
HRH3 Q9Y5N1 12/20 0.56
HRH2 P25021 10/20 0.56
HRH1 P35367 10/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
MMP1 P03956 1/20 0.53
MMP9 P14780 1/20 0.53
MMP13 P45452 1/20 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
SCHEMBL13093547 0.98 HDAC1 (0.58) MMP3MMP2HRH3HRH2HRH1
SCHEMBL5139430 0.98 HDAC1 (0.58) MMP3MMP2HRH3HRH2HRH1
SCHEMBL12461768 0.95 MMP2 (0.58) MMP3MMP2HRH3HRH2HRH1
SCHEMBL8487924 0.94 HRH3 (0.54) MMP3MMP2HRH3HRH2HRH1
SCHEMBL12460716 0.93 HRH3 (0.57) MMP3MMP2HRH3HRH2HRH1
Hydrochloric Acid SCHEMBL8486073 0.93 HRH3 (0.53) MMP3MMP2HRH3HRH2HRH1
SCHEMBL4023331 0.93 HRH3 (0.57) MMP3MMP2HRH3HRH2HRH1
SCHEMBL26602050 0.91 MMP3 (0.66) MMP3MMP2HRH3HRH2HRH1
SCHEMBL29444063 0.89 HDAC1 (0.67) MMP3MMP2HRH3HRH2HRH1
SCHEMBL16841044 0.89 HDAC1 (0.67) MMP3MMP2HRH3HRH2HRH1

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
US-5645758-A Liquid crystal composition, liquid crystal device using the same, light controlling element, recording medium, and light shutter KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 1997-07-08 US disclosed