SCHEMBL7716229

SCHEMBL7716229

CCOC(=O)CCCCCOc1ccc(/N=N/c2ccc(C#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
MMP3 P08254 2/20 0.49
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MMP2 P08253 2/20 0.45
LTA4H P09960 5/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
FFAR1 O14842 1/20 0.44
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
BRD4 O60885 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
SCHEMBL7713959 1.00 HDAC1 (0.51) HDAC1HDAC2PPARDPPARAMMP3
SCHEMBL7717977 0.99 PPARD (0.50) HDAC1HDAC2PPARDPPARAMMP3
SCHEMBL7717973 0.99 PPARD (0.50) HDAC1HDAC2PPARDPPARAMMP3
SCHEMBL7717978 0.95 PPARD (0.51) HDAC1HDAC2PPARDPPARAMMP3
SCHEMBL7717980 0.95 PPARD (0.51) HDAC1HDAC2PPARDPPARAMMP3
SCHEMBL6336869 0.92 HDAC1 (0.58) HDAC1HDAC2MMP3HRH2HRH1
SCHEMBL5522757 0.92 HDAC1 (0.58) HDAC1HDAC2MMP3HRH2HRH1
SCHEMBL7301892 0.91 MMP3 (0.57) HDAC1HDAC2MMP3HRH2HRH1
SCHEMBL8409925 0.89 HDAC1 (0.64) HDAC1HDAC2MMP3HRH2HRH1
SCHEMBL7778508 0.89 HDAC1 (0.64) HDAC1HDAC2MMP3HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828709-B1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS OPTILINK AB (SE) 2002-09-18 EP disclosed
US-6376655-B1 APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY RISO NATIONAL LABORATORY (DK) 2002-04-23 US disclosed
EP-0828709-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS FORSKNINGSCENTER RISO (DK) 1998-03-18 EP disclosed
WO-1996038410-A1 NOVEL PHYSICALLY FUNCTIONAL MATERIALS Forskningscenter Risø (DK) 1996-12-05 WO disclosed