SCHEMBL5097451

SCHEMBL5097451

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
MMP3 P08254 5/20 0.56
MMP2 P08253 5/20 0.55
HRH3 Q9Y5N1 10/20 0.55
HRH2 P25021 8/20 0.55
HRH1 P35367 8/20 0.55
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
MMP1 P03956 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 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
SCHEMBL9224982 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL6709272 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL17749614 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5096630 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL9227809 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL9227146 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL2201281 1.00 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL9167569 0.98 MMP3 (0.57) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL5522642 0.95 HRH3 (0.57) HDAC1HDAC2MMP3MMP2HRH3
SCHEMBL11031564 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 8 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
EP-0445628-B1 Polymerizable nematic monomer compositions HERCULES INC (US) 1995-01-25 EP disclosed
US-5202053-A Blends HERCULES INCORPORATED (US) 1993-04-13 US disclosed
EP-0445628-A2 Polymerizable nematic monomer compositions HERCULES INCORPORATED (US) 1991-09-11 EP disclosed