SCHEMBL17586111

SCHEMBL17586111

O=C(/C=C\C(=O)OCCCCCCOc1ccc(-c2ccccc2)cc1)OCCCCCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.61
HDAC2 Q92769 13/20 0.61
HDAC3 O15379 11/20 0.61
HDAC4 P56524 11/20 0.61
HDAC7 Q8WUI4 11/20 0.61
HDAC10 Q969S8 11/20 0.61
HDAC11 Q96DB2 11/20 0.61
HDAC8 Q9BY41 11/20 0.61
HDAC6 Q9UBN7 11/20 0.61
HDAC9 Q9UKV0 11/20 0.61
HDAC5 Q9UQL6 11/20 0.61
HRH3 Q9Y5N1 4/20 0.52
KCNH2 Q12809 2/20 0.52
HRH4 Q9H3N8 2/20 0.52
HRH1 P35367 1/20 0.52
MMP3 P08254 1/20 0.51
THRB P10828 1/20 0.50
RARB P10826 1/20 0.50

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
SCHEMBL16893927 0.88 THRB (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16893714 0.88 THRB (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL26981904 0.88 THRB (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16893840 0.88 THRB (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1532973 0.88 THRB (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16893846 0.88 THRB (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16893915 0.88 THRB (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17586110 0.87 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL16893724 0.86 THRB (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9453093 0.84 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416284-B2 Copolymer, aqueous ink, and ink cartridge RICOH COMPANY, LTD. (JP) 2016-08-16 US disclosed
US-20160075892-A1 COPOLYMER, AQUEOUS INK, AND INK CARTRIDGE RICOH COMPANY, LTD. (JP) 2016-03-17 US disclosed