SCHEMBL6258623

SCHEMBL6258623

N#CC(CCCCOc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC2 Q92769 3/20 0.45
▸ PKM P14618 1/20 0.44
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL8724932 0.90 HDAC1 (0.55) HDAC1HDAC2PPARGPPARAALOX5
SCHEMBL5514899 0.80 TDP1 (0.63) KCNA3TDP1ALDH1A1RECQLHDAC1
SCHEMBL9374614 0.78 KCNA3 (0.59) KCNA3TDP1ALDH1A1RECQLHDAC1
SCHEMBL4756791 0.78 TDP1 (0.61) KCNA3TDP1ALDH1A1RECQLHDAC1
SCHEMBL5508343 0.78 TDP1 (0.61) KCNA3TDP1ALDH1A1RECQLHDAC1
SCHEMBL10933261 0.77 KCNA3 (0.57) KCNA3TDP1ALDH1A1RECQLHDAC1
SCHEMBL10419286 0.76 MAPT (0.50) HDAC1HDAC2ALOX5HDAC3HDAC4
SCHEMBL8729254 0.76 HDAC1 (0.51) ALDH1A1HDAC1HDAC2PPARGPPARA
SCHEMBL6159560 0.76 KCNA3 (0.55) KCNA3TDP1HDAC1HDAC2PKM
SCHEMBL10420113 0.76 GRIK1 (0.50) TDP1HDAC1HDAC2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1579276-A1 NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2005-09-28 — — EP disclosed
WO-2004097530-A1 STRUCTURE AND METHOD FOR PRODUCING STRUCTURE, TONER CONTAINING STRUCTURE, IMAGE FORMING METHOD AND DEVICE USING TONER CANON KABUSHIKI KAISHA (JP) 2004-11-11 — — WO disclosed
WO-2004096188-A1 POLYHYDROXYALKANOATE-CONTAINING MAGNETIC STRUCTURE, AND MANUFACTURING METHOD AND USE THEREOF CANON KABUSHIKI KAISHA (JP) 2004-11-11 — — WO disclosed
WO-2004097417-A1 STRUCTURED CONSTRUCT AND PRODUCING METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2004-11-11 — — WO disclosed
WO-2004061529-A1 NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2004-07-22 — — WO disclosed
WO-2004041905-A1 NEW POLYHYDROXYALKANOATE COPOLYMER, RESIN COMPOSITION, MOLDED PRODUCT, TONER, IMAGE FORMING METHOD AND IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2004-05-21 — — WO disclosed
WO-2004037889-A1 POLYHYDROXYALKANOATE, PROCESS FOR PREPARING THE SAME, AND RESIN COMPOSITION CONTAINING THE POLYHYDROXYALKANOATE CANON KABUSHIKI KAISHA (JP) 2004-05-06 — — WO disclosed
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