SCHEMBL5576566

SCHEMBL5576566

BrC=CCOc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.61
KCNA3 P22001 1/20 0.46
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
APP P05067 1/20 0.41
ALOX15 P16050 1/20 0.40
MAOB P27338 1/20 0.40
PKM P14618 2/20 0.39
THRB P10828 1/20 0.39
LTA4H P09960 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL419305 0.85 AOC3 (0.78) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL419306 0.85 AOC3 (0.78) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL5576798 0.82 AOC3 (0.61) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL19784339 0.82 AOC3 (0.67) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL12556457 0.82 AOC3 (0.61) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL3184428 0.81 AOC3 (0.54) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL6042199 0.80 AOC3 (0.64) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL6042205 0.80 AOC3 (0.64) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL2167367 0.77 AOC3 (0.61) AOC3KCNA3TAAR1ALDH1A1RECQL
SCHEMBL11496934 0.77 AOC3 (0.61) AOC3KCNA3TAAR1ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7296576-B2 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX PERFORMANCE MATERIALS, LLC (US) 2007-11-20 US claimed
US-20060041104-A1 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX CORPORATION (US) 2006-02-23 US claimed
JP-5222370-A None JP disclosed
CN-108948000-A A kind of synthetic method of 9-O substituted benzene oxygen alkyl berberine derivative 常州大学 2018-12-07 CN disclosed
JP-H05222370-A OPTICALLY ACTIVE COMPOUND, ITS PRODUCTION, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT CONTAINING THE SAME YAMAKAWA YAKUHIN KOGYO KK 1993-08-31 JP disclosed