Cyclohexanone

Cyclohexanone

SCHEMBL3913013

CCC(C)(C)C1CCC(=O)CC1.O=C1CCCCC1

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
SLC2A1 P11166 1/20 0.38
MAPT P10636 6/20 0.37
GAA P10253 5/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
CDK5 Q00535 1/20 0.30

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
SCHEMBL112039 0.92 SLC2A1 (0.41) ALDH1A1SLC2A1MAPTGAANPC1
SCHEMBL2649752 0.80 SLC2A1 (0.46) ALDH1A1SLC2A1MAPTGAANPC1
SCHEMBL17247965 0.77 SLC2A1 (0.40) ALDH1A1SLC2A1MAPTGAANPC1
SCHEMBL11460960 0.76 CES2 (0.31) SLC2A1
SCHEMBL11450694 0.75 SLC2A1 (0.32) SLC2A1
SCHEMBL5918114 0.75 SLC2A1 (0.32) SLC2A1
SCHEMBL1396813 0.74 ALDH1A1 (0.39) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL6741817 0.74 TRIM24 (0.43) ALDH1A1TRIM24TRIM33MAPTGAA
SCHEMBL8706325 0.74 CES2 (0.32)
SCHEMBL28982666 0.74 CES2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027172-A1 FORMALDEHYDE-FREE, OH-FUNCTIONAL, CARBONYL- AND RING-HYDROGENATED KETONE-ALDEHYDE RESINS BASED ON ALKYL ARYL KETONES AND FORMALDEHYDE AND A PROCESS FOR PREPARING THEM Evonik Degussa GmbH (DE) 2009-02-25 EP claimed
EP-2027171-A1 FORMALDEHYDE-FREE, CARBONYL- AND RING-HYDROGENATED KETONE-ALDEHYDE RESINS BASED ON ALKYL ARYL KETONES AND FORMALDEHYDE WHICH HAVE A LOW OH FUNCTIONALITY AND A PROCESS FOR PREPARING THEM Degussa GmbH (DE) 2009-02-25 EP claimed
WO-2007141114-A1 FORMALDEHYDE-FREE, CARBONYL- AND RING-HYDROGENATED KETONE-ALDEHYDE RESINS BASED ON ALKYL ARYL KETONES AND FORMALDEHYDE WHICH HAVE A LOW OH FUNCTIONALITY AND A PROCESS FOR PREPARING THEM EVONIK DEGUSSA GMBH (DE) 2007-12-13 WO claimed
WO-2007141119-A1 FORMALDEHYDE-FREE, OH-FUNCTIONAL, CARBONYL- AND RING-HYDROGENATED KETONE-ALDEHYDE RESINS BASED ON ALKYL ARYL KETONES AND FORMALDEHYDE AND A PROCESS FOR PREPARING THEM EVONIK DEGUSSA GMBH (DE) 2007-12-13 WO claimed
EP-1786871-A1 RADIOSENSITIVE SUBSTANCE Degussa GmbH (DE) 2007-05-23 EP claimed
EP-1786846-A1 PRODUCTS RESULTING FROM POLYMER-ANALOGOUS REACTIONS Degussa GmbH (DE) 2007-05-23 EP claimed
WO-2006094849-A1 AQUEOUS COATING SUBSTANCE COMPOSITIONS FOR DECORATIVE PAINT EFFECTS DEGUSSA GMBH (DE) 2006-09-14 WO claimed
WO-2006094850-A1 AQUEOUS COATING SUBSTANCE COMPOSITIONS HAVING AN IMPROVED RESISTANCE TO STONING DEGUSSA GMBH (DE) 2006-09-14 WO claimed
WO-2006094848-A2 AQUEOUS PAINT COMPOSITIONS FOR WOOD DEGUSSA GMBH (DE) 2006-09-14 WO claimed
WO-2006094847-A1 AQUEOUS PRINTING INK COMPOSITIONS DEGUSSA GMBH (DE) 2006-09-14 WO claimed
WO-2006094851-A1 COATING AGENT AQUEOUS COMPOSITIONS FOR FLEXIBLE BACKGROUNDS DEGUSSA GMBH (DE) 2006-09-14 WO claimed
WO-2006021478-A1 PRODUCTS RESULTING FROM POLYMER-ANALOGOUS REACTIONS DEGUSSA AG (DE) 2006-03-02 WO claimed
WO-2006021479-A1 RADIOSENSITIVE SUBSTANCE DEGUSSA GMBH (DE) 2006-03-02 WO claimed
EP-1508580-A1 Ketone-aldehyde resins, in particular cyclohexanone-formaldehyde resins, process for their production and their use Degussa AG (DE) 2005-02-23 EP claimed