SCHEMBL26602050

SCHEMBL26602050

N#Cc1ccc(-c2ccc(OCCCCOc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.66
MMP2 P08253 5/20 0.66
HRH3 Q9Y5N1 10/20 0.65
HRH2 P25021 8/20 0.65
HRH1 P35367 8/20 0.65
HDAC1 Q13547 1/20 0.64
HDAC2 Q92769 1/20 0.64
MMP1 P03956 1/20 0.60
MMP9 P14780 1/20 0.60
MMP13 P45452 1/20 0.60
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL29444063 0.98 HDAC1 (0.67) MMP3MMP2HRH3HRH2HRH1
SCHEMBL16841044 0.98 HDAC1 (0.67) MMP3MMP2HRH3HRH2HRH1
SCHEMBL18079151 0.98 HDAC1 (0.67) MMP3MMP2HRH3HRH2HRH1
SCHEMBL5519875 0.93 HRH3 (0.62) MMP3MMP2HRH3HRH2HRH1
SCHEMBL6709103 0.92 MMP3 (0.59) MMP3MMP2HRH3HRH2HRH1
SCHEMBL7983991 0.91 HRH3 (0.66) MMP3MMP2HRH3HRH2HRH1
SCHEMBL12408526 0.91 HRH3 (0.66) MMP3MMP2HRH3HRH2HRH1
SCHEMBL7387284 0.91 HRH3 (0.66) MMP3MMP2HRH3HRH2HRH1
SCHEMBL5526919 0.91 HRH3 (0.66) MMP3MMP2HRH3HRH2HRH1
SCHEMBL25192787 0.91 KDM4E (0.68) 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-11796856-B1 Organic solid crystals having helical structures formed using cholesteric liquid crystals META PLATFORMS TECHNOLOGIES, LLC (US) 2023-10-24 US disclosed