SCHEMBL8076491

SCHEMBL8076491

CCCCCC1C(=O)CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
CYP1A2 P05177 3/20 0.43
ALDH1A1 P00352 7/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HLCS P50747 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.34

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
SCHEMBL6742596 0.98 TP53 (0.46) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL10959669 0.92 CYP1A2 (0.44) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL7167062 0.92 CYP1A2 (0.44) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL1036088 0.91 CYP1A2 (0.46) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL10704088 0.89 CYP1A2 (0.48) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL11861937 0.89 CYP1A2 (0.48) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL5259007 0.84 TP53 (0.47) TP53CYP1A2ALDH1A1HPGDHLCS
SCHEMBL8393094 0.84 TP53 (0.39) TP53CYP1A2ALDH1A1L3MBTL1MAPT
SCHEMBL28102875 0.84 TP53 (0.40) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL28050847 0.84 TP53 (0.40) TP53CYP1A2ALDH1A1HPGDALOX15

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631208-A Herbicidal cyclohexane-1,3-dione derivatives and their preparation process KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-05-20 US claimed
WO-1996006071-A1 NOVEL HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES AND THEIR PREPARATION PROCESS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-02-29 WO claimed
WO-1994003443-A1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES AND THEIR PREPARATION PROCESS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-02-17 WO claimed
EP-0209283-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-10-16 EP claimed
EP-0211605-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-05-15 EP claimed
EP-0243313-B1 ACYL-CYCLOHEXANE DIONES AND THEIR OXIME ETHERS EXHIBITING A HERBICIDAL AND PLANT GROWTH ACTIVITY CIBA-GEIGY AG (CH) 1990-05-16 EP claimed
US-4909835-A Containing a sulfur substitution in position 5 CIBA-GEIGY CORPORATION (US) 1990-03-20 US claimed
EP-0331422-A2 Method of preparing 2-acylresorcinols MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-09-06 EP claimed
EP-0243313-A1 Acyl-cyclohexane diones and their oxime ethers exhibiting a herbicidal and plant growth activity CIBA-GEIGY AG (CH) 1987-10-28 EP claimed
EP-0211605-A2 Herbicidal Cyclohexane-1,3-dione Derivatives ICI AUSTRALIA LIMITED (AU) 1987-02-25 EP claimed
EP-0209283-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1987-01-21 EP claimed
EP-0202042-A1 Cyclohexane-1,3-dione derivatives, compositions containing them, processes for preparing them, and their use as herbicides and plant growth regulators ICI AUSTRALIA LIMITED (AU) 1986-11-20 EP claimed
EP-0007243-B1 2-ARYL-1,3-CYCLOHEXANEDIONE COMPOUNDS AND ALKALI METAL SALTS, AMMONIUM SALTS AND ENOL ESTERS THEREOF, COMPOSITION AND METHOD OF CONTROLLING ACARINA ECTOPARASITES ON WARMBLOODED ANIMALS UNION CARBIDE CORPORATION (US) 1982-11-17 EP claimed
JP-1224343-A None JP disclosed
WO-2024061348-A1 OXIME ETHER 1,3-CYCLOHEXANEDIONE COMPOUND, SYNTHESIS METHOD THEREFOR, AND USE THEREOF 郑州手性药物研究院有限公司 2024-03-28 WO disclosed
CN-115417791-B Oxime ether 1, 3-cyclohexanedione compound and synthetic method and application thereof 郑州手性药物研究院有限公司 2023-10-27 CN disclosed
EP-0007243-A1 2-Aryl-1,3-cyclohexanedione compounds and alkali metal salts, ammonium salts and enol esters thereof, composition and method of controlling acarina ectoparasites on warmblooded animals UNION CARBIDE CORPORATION (US) 1980-01-23 EP disclosed
US-4175135-A Method of controlling acarina ectoparasites on warmblooded animals by orally administering to the animal an ectoparasitically effective amount of a 2-aryl-1,3-cyclohexanedione compound, and alkali metal salts, ammonium salts and enol esters thereof UNION CARBIDE CORPORATION (US) 1979-11-20 US disclosed
US-4175135-A Method of controlling acarina ectoparasites on warmblooded animals by orally administering to the animal an ectoparasitically effective amount of a 2-aryl-1,3-cyclohexanedione compound, and alkali metal salts, ammonium salts and enol esters thereof UNION CARBIDE CORPORATION (US) 1979-11-20 US disclosed
US-4175135-A Method of controlling acarina ectoparasites on warmblooded animals by orally administering to the animal an ectoparasitically effective amount of a 2-aryl-1,3-cyclohexanedione compound, and alkali metal salts, ammonium salts and enol esters thereof UNION CARBIDE CORPORATION (US) 1979-11-20 US disclosed