SCHEMBL5089722

SCHEMBL5089722

C[SiH](C)O[Si](C)(C)CCCCCOc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
MMP3 P08254 5/20 0.46
HRH3 Q9Y5N1 11/20 0.45
HRH2 P25021 8/20 0.45
HRH1 P35367 8/20 0.45
MMP2 P08253 4/20 0.45
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL15045544 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL17225149 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL29444063 0.80 HDAC1 (0.67) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL16841044 0.80 HDAC1 (0.67) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL18079151 0.80 HDAC1 (0.67) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL26602050 0.78 MMP3 (0.66) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9194747 0.77 HRH3 (0.48) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL13110640 0.76 KDM4E (0.48) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL25181544 0.75 KDM4E (0.71) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL25189473 0.75 KDM4E (0.71) KDM4EALDH1A1HPGDHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7416682-B2 Photochromic liquid crystals CHI MEI OPTOELECTRONICS CORPORATION (TW) 2008-08-26 US disclosed
EP-1517977-B1 PHOTOCHROMIC LIQUID CRYSTALS QINETIQ LTD (GB) 2006-10-11 EP disclosed
US-20050258396-A1 Potochromic liquid crystals QINETIQ LIMITED (GB) 2005-11-24 US disclosed
EP-1517977-A1 PHOTOCHROMIC LIQUID CRYSTALS Qinetiq Limited (GB) 2005-03-30 EP disclosed
WO-2004003107-A1 POTOCHROMIC LIQUID CRYSTALS QINETIQ LIMITED (GB) 2004-01-08 WO disclosed