Cyclohexanone

Cyclohexanone

SCHEMBL7064054

CCCC(=O)O.O=C1CCCCC1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
ALDH1A1 P00352 3/20 0.48
TRIM24 O15164 2/20 0.48
TRIM33 Q9UPN9 2/20 0.48
AKR1B1 P15121 1/20 0.39
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 7/20 0.38
PPARD Q03181 7/20 0.38
PPARA Q07869 7/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
PTPN1 P18031 3/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38

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
Cyclopentanone SCHEMBL3625536 0.86 ALDH1A1 (0.58) FFAR3HDAC3HDAC1HDAC2HDAC8
Cyclohexanone SCHEMBL11783871 0.86 ALDH1A1 (0.58) FFAR3HDAC3HDAC1HDAC2HDAC8
Succinic Acid SCHEMBL28133010 0.86 ALDH1A1 (0.58) ALDH1A1TRIM24TRIM33TSHRTDP1
Cyclohexanone SCHEMBL977979 0.86 ALDH1A1 (0.58) FFAR3HDAC3HDAC1HDAC2HDAC8
Hexanoate SCHEMBL11346787 0.86 AKR1B1 (0.61) ALDH1A1AKR1B1GPR84PPARGPPARD
Cyclohexanone SCHEMBL9513944 0.84 TRIM24 (0.50) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL3509473 0.83 FFAR3 (0.81) FFAR3HDAC3HDAC1HDAC2HDAC8
Cyclohexane SCHEMBL3364580 0.83 FFAR3 (0.81) FFAR3HDAC3HDAC1HDAC2HDAC8
Cyclohexane SCHEMBL7426842 0.83 FFAR3 (0.81) FFAR3HDAC3HDAC1HDAC2HDAC8
Cyclohexane SCHEMBL16341925 0.83 FFAR3 (0.81) FFAR3HDAC3HDAC1HDAC2HDAC8

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-6809059-B2 LANTHANUM AND NAPHTHOL CONTAINING COMPLEX FOR PERFORMING A MICHAEL ADDITION REACTION BETWEEN A BETA -DICARBONYL COMPOUND WITH A CYCLIC OR ACYCLIC ENONE JOHNSON MATTHEY PLC (GB) 2004-10-26 US disclosed
US-20020039961-A1 Catalyst JOHNSON MATTHEY PLC (GB) 2002-04-04 US disclosed
EP-0496555-B1 Corrosion-inhibiting coating compositions CIBA GEIGY AG (CH) 1997-11-19 EP disclosed
US-5277709-A Film forming binder and corrosion inhibitor CIBA-GEIGY CORPORATION (US) 1994-01-11 US disclosed
EP-0496555-A2 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1992-07-29 EP disclosed