SCHEMBL5097477

SCHEMBL5097477

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
MMP3 P08254 5/20 0.60
MMP2 P08253 6/20 0.59
HRH3 Q9Y5N1 9/20 0.55
HRH2 P25021 7/20 0.55
HRH1 P35367 7/20 0.55
MMP1 P03956 1/20 0.55
MMP9 P14780 1/20 0.55
MMP13 P45452 1/20 0.55
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL9169148 1.00 HDAC1 (0.62) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5097462 1.00 HDAC1 (0.62) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL4594927 1.00 HDAC1 (0.62) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5091513 1.00 HDAC1 (0.62) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5097481 1.00 HDAC1 (0.62) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5090877 1.00 HDAC1 (0.62) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5091525 1.00 HDAC1 (0.62) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL9786700 0.98 MMP3 (0.61) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5522292 0.95 HRH3 (0.57) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL22120085 0.95 HRH3 (0.57) HDAC1HDAC2MMP3MMP2HRH3

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