SCHEMBL8939353

SCHEMBL8939353

C=CC(=O)OCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
MMP3 P08254 5/20 0.56
MMP2 P08253 7/20 0.56
MMP1 P03956 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
THRB P10828 1/20 0.51
HRH3 Q9Y5N1 5/20 0.47
HRH2 P25021 4/20 0.47
HRH1 P35367 4/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL7590582 1.00 HDAC1 (0.59) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL8939360 1.00 HDAC1 (0.59) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL8939370 1.00 HDAC1 (0.59) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL8939317 1.00 HDAC1 (0.59) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL8939373 1.00 HDAC1 (0.59) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL8939366 1.00 HDAC1 (0.59) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL103263 1.00 HDAC1 (0.59) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL5961806 0.99 MMP3 (0.58) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL4331061 0.96 MMP2 (0.57) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL2241855 0.94 THRB (0.56) HDAC1HDAC2MMP3MMP2MMP1

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-5498363-A Electrorheological fluid AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-03-12 US disclosed