SCHEMBL13869322

SCHEMBL13869322

C=CC(=O)OCC(CCCCOc1ccc(-c2ccc(C#N)cc2)cc1)OC(=O)C=C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MMP2 P08253 8/20 0.46
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
HRH2 P25021 5/20 0.41
HRH1 P35367 5/20 0.41
HRH3 Q9Y5N1 5/20 0.41
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
RARB P10826 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL13869670 0.99 HDAC1 (0.48) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL13869328 0.99 HDAC1 (0.48) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL13869185 0.90 MMP3 (0.46) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL13869397 0.88 MAPT (0.40) MMP3HDAC1HDAC2MMP2THRB
SCHEMBL13869183 0.88 MMP2 (0.50) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL28604099 0.87 HDAC1 (0.49) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL13806665 0.87 MMP3 (0.49) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL13806664 0.86 HDAC1 (0.50) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL13806676 0.86 HDAC1 (0.50) MMP3HDAC1HDAC2MMP2MMP1
SCHEMBL9004242 0.85 MMP2 (0.49) MMP3HDAC1HDAC2MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed