SCHEMBL10731027

SCHEMBL10731027

CC1(C)CC(=O)C(c2ccccc2Cl)C(=O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 2/20 0.53
KMT2A Q03164 4/20 0.48
GSK3B P49841 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 2/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
CYP2C19 P33261 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL10912288 0.80 MEN1 (0.44) MAPTALDH1A1GAAKMT2AGSK3B
SCHEMBL11046467 0.80 ALDH1A1 (0.54) MAPTALDH1A1GAAKMT2AGSK3B
SCHEMBL10737556 0.79 KMT2A (0.47) MAPTALDH1A1GAAKMT2AHTT
SCHEMBL11096597 0.79 TP53 (0.50) MAPTALDH1A1GAASMN1; SMN2TP53
SCHEMBL11227840 0.78 HTR1A (0.48) GSK3BSMN1; SMN2TP53RECQLKDM1A
SCHEMBL10729742 0.78 ALDH1A1 (0.42) MAPTALDH1A1GAAKMT2AGSK3B
SCHEMBL10736168 0.76 TP53 (0.47) MAPTALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL11214662 0.74 KMT2A (0.49) MAPTALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL11811509 0.71 RAB9A (0.53) MAPTALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL10948287 0.70 MEN1 (0.57) MAPTALDH1A1GAAKMT2AGSK3B

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-4209532-A Biocidal 2-aryl-1,3-cyclohexane dione compounds and alkali metal and ammonium salts thereof UNION CARBIDE CORPORATION (US) 1980-06-24 US claimed
US-4659372-A MITICIDE, MITE OVICIDE, AND HERBICIDES UNION CARBIDE CORPORATION (US) 1987-04-21 US disclosed
US-4613617-A Synergistic insecticidal compositions containing dione esters UNION CARBIDE CORPORATION (US) 1986-09-23 US disclosed
US-4422870-A MITICIDE, MITE OVICIDE, HERBICIDE UNION CARBIDE CORPORATION (US) 1983-12-27 US disclosed
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 disclosed
US-4257858-A REACTING A CYCLOHEXA-1,3-DIONE-2-DIAZIDE WITH AN ARYL COMPOUND UNION CARBIDE CORPORATION (US) 1981-03-24 US disclosed
US-4256657-A CYCLIZATION, ACID CATALYST UNION CARBIDE CORPORATION (US) 1981-03-17 US disclosed
US-4256658-A CYCLIZATION, BASIC CATALYST UNION CARBIDE CORPORATION (US) 1981-03-17 US disclosed
US-4256659-A Method of preparing 2-aryl-1,3-cyclohexanedione compounds UNION CARBIDE CORPORATION (US) 1981-03-17 US disclosed
US-4209532-A Biocidal 2-aryl-1,3-cyclohexane dione compounds and alkali metal and ammonium salts thereof UNION CARBIDE CORPORATION (US) 1980-06-24 US 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