SCHEMBL8733598

SCHEMBL8733598

C=CC(=O)CCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.62
HDAC2 Q92769 4/20 0.62
HDAC3 O15379 3/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC5 Q9UQL6 3/20 0.62
HDAC4 P56524 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
MAPK1 P28482 1/20 0.62
ADRA1A P35348 1/20 0.62
SLC6A3 Q01959 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56

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
SCHEMBL24504176 0.94 MAPT (0.61) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL13892460 0.93 MAPT (0.65) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL4424144 0.88 GPR52 (0.59) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL19456750 0.87 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL27720366 0.86 GPR52 (0.58) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL8673783 0.83 TDP1 (0.45) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL13310793 0.82 THRB (0.50) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL31202751 0.81 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL16610548 0.81 HRH1 (0.43) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2441183 0.81 THRB (0.47) CASP3TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938420-B2 Digital fabrication of metallic articles AGFA-GEVAERT (BE) 2018-04-10 US disclosed
US-20170226355-A1 DIGITAL FABRICATION OF METALLIC ARTICLES AGFA-GEVAERT (BE) 2017-08-10 US disclosed
US-20170218213-A1 ETCH-RESISTANT INKJET INKS FOR MANUFACTURING CONDUCTIVE PATTERNS AGFA-GEVAERT (BE) 2017-08-03 US disclosed
US-20170218520-A1 METHODS OF MANUFACTURING EMBOSSING ELEMENTS AGFA GRAPHICS NV (BE) 2017-08-03 US disclosed
US-9029066-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2015-05-12 US disclosed
US-8978554-B2 Alkali soluble resin AGFA GRAPHICS N.V. (BE) 2015-03-17 US disclosed
US-20110247516-A1 New Alkali Soluble Resin AGFA GRAPHICS NV (BE) 2011-10-13 US disclosed
EP-0833883-A1 CYCLOHEXYL-SUBSTITUTED ALKANOLS Henkel Kommanditgesellschaft auf Aktien (DE) 1998-04-08 EP disclosed
WO-1996041853-A1 CYCLOHEXYL-SUBSTITUTED ALKANOLS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-12-27 WO disclosed
WO-1996039371-A1 AROMATIC CARBONYL COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-12-12 WO disclosed
WO-1995030406-A1 USE OF 3-PHENYL-4-PENTENALS AND THEIR DERIVATIVES AS SCENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-11-16 WO disclosed
US-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 US disclosed