SCHEMBL13237271

SCHEMBL13237271

CCOC(=O)/C(C(C)=O)=C(/O)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.50
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NCOR2 Q9Y618 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CASP3 P42574 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
SCHEMBL13237249 0.85 HDAC1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL16212254 0.83 L3MBTL1 (0.52) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL1858472 0.80 ALOX5 (0.56) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL11133561 0.78 ALOX5 (0.53) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL6024246 0.77 ALOX5 (0.50) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL6024243 0.77 ALOX5 (0.50) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL260297 0.77 ALOX5 (0.76) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL7635946 0.76 ALOX5 (0.55) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL7642349 0.75 ALOX5 (0.51) ALOX5HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL27794216 0.75 ALOX5 (0.74) ALOX5HDAC3HDAC1HDAC2HDAC8

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-7749669-B2 Electrophotographic toner and image forming method KONICA MINOLTA HOLDINGS, INC. (JP) 2010-07-06 US disclosed
US-7678520-B2 Method for producing electrophotographic toner and electrophotographic toner KONICA MINOLTA HOLDINGS, INC. (JP) 2010-03-16 US disclosed
US-7595139-B2 Metal complex dye, color toner and color filter KONICA MINOLTA HOLDINGS, INC. (JP) 2009-09-29 US disclosed
US-20070259282-A1 Electrophotographic toner, image forming method, dye and metal chelate dye KONICA MINOLTA HOLDINGS, INC. (JP) 2007-11-08 US disclosed
US-20070092819-A1 Method for producing electrophotographic toner and electrophotographic toner KONICA MINOLTA HOLDINGS, INC. (JP) 2007-04-26 US disclosed