SCHEMBL11207933

SCHEMBL11207933

CC1(C)CC(=O)C(c2c(Br)cccc2Br)C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 4/20 0.39
CYP3A4 P08684 2/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
GSK3B P49841 1/20 0.37
GSK3A P49840 1/20 0.37
CYP2C19 P33261 3/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10911516 0.79 CYP1A2 (0.45) MAPTALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL10912288 0.78 MEN1 (0.44) MAPTALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL11214800 0.73 ALDH1A1 (0.42) MAPTALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL11232894 0.68 HTR1A (0.36) SMN1; SMN2
SCHEMBL11221422 0.68 CYP1A2 (0.37) MAPTALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL10948287 0.68 MEN1 (0.57) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL11213673 0.67 ALDH1A1 (0.43) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL10945347 0.67 KMT2A (0.58) MAPTALDH1A1GAAHIF1AKMT2A
SCHEMBL11046467 0.67 ALDH1A1 (0.54) MAPTALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL11223802 0.67 ALDH1A1 (0.45) MAPTALDH1A1GAASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4351666-A PRETREATMENT BEFORE HARVESTING UNION CARBIDE CORPORATION (US) 1982-09-28 US 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