SCHEMBL13237249

SCHEMBL13237249

COC(=O)/C(C(C)=O)=C(/O)CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.50
HDAC3 O15379 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL13237271 0.85 ALOX5 (0.50) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL28826491 0.84 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7640251 0.79 PLAAT3 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL9698627 0.76 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL31490468 0.76 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL162806 0.75 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7634822 0.74 PLAAT3 (0.59) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7644263 0.74 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC8HDAC6
Phosphine SCHEMBL27480219 0.74 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL6010223 0.73 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC8HDAC6

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