SCHEMBL7778508

SCHEMBL7778508

CCOC(=O)CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.64
HDAC2 Q92769 1/20 0.64
MMP3 P08254 5/20 0.62
MMP2 P08253 6/20 0.58
HRH2 P25021 1/20 0.58
HRH1 P35367 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
MMP1 P03956 1/20 0.54
MMP9 P14780 1/20 0.54
MMP13 P45452 1/20 0.54
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH2 P05091 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47

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
SCHEMBL8409925 1.00 HDAC1 (0.64) HDAC1HDAC2MMP3MMP2HRH2
SCHEMBL6336869 0.96 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH2
SCHEMBL5522757 0.96 HDAC1 (0.58) HDAC1HDAC2MMP3MMP2HRH2
SCHEMBL1285929 0.95 MMP2 (0.61) HDAC1HDAC2MMP3MMP2HRH2
SCHEMBL1285386 0.95 MMP2 (0.61) HDAC1HDAC2MMP3MMP2HRH2
SCHEMBL7301892 0.95 MMP3 (0.57) HDAC1HDAC2MMP3MMP2HRH2
SCHEMBL6328916 0.90 MAPT (0.55) HDAC1HDAC2MMP3MMP2HRH2
4-Cyanophenol SCHEMBL8994006 0.90 MMP3 (0.52) HDAC1HDAC2MMP3MMP2HRH2
SCHEMBL7713959 0.89 HDAC1 (0.51) HDAC1HDAC2MMP3MMP2HRH2
SCHEMBL7716229 0.89 HDAC1 (0.51) HDAC1HDAC2MMP3MMP2HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896048-B1 Liquid crystal device and process for fabricating liquid crystal device JSR CORP (JP) 2001-09-19 EP disclosed
US-6074710-A GELLING AGENT CAPABLE OF EASILY PRODUCING A LIQUID CRYSTAL GEL WITH SUBSTANTIALLY NO FLUIDITY JSR CORPORATION (JP) 2000-06-13 US disclosed
EP-0896048-A1 Liquid crystal device and process for fabricating liquid crystal device JSR Corporation (JP) 1999-02-10 EP disclosed