SCHEMBL11224539

SCHEMBL11224539

COc1cccc(Cl)c1C1C(=O)CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HCRTR2 O43614 12/20 0.42
HCRTR1 O43613 11/20 0.42
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 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
SCHEMBL15001063 0.94 CRHBP (0.45) CRHBPCRHR2HCRTR2HCRTR1HTR2A
SCHEMBL17376705 0.89 HCRTR2 (0.43) HCRTR2HCRTR1
SCHEMBL17382579 0.81 TP53 (0.46) HCRTR2HCRTR1
SCHEMBL11229583 0.81 HCRTR1 (0.39) HCRTR2HCRTR1
SCHEMBL11228395 0.80 CRHBP (0.38) CRHBPCRHR2HCRTR2HCRTR1
SCHEMBL15001062 0.79 CRHBP (0.43) CRHBPCRHR2HCRTR2HCRTR1HTR2A
SCHEMBL15822053 0.76 CRHBP (0.38) CRHBPCRHR2HCRTR2HCRTR1
SCHEMBL15821813 0.76 CRHBP (0.41) CRHBPCRHR2HCRTR2HCRTR1HTR2A
SCHEMBL15821759 0.76 CA1 (0.35) HTR2AHTR2CHTR2B
SCHEMBL15839529 0.76 KMT2A (0.32) CRHBPCRHR2HTR2AHTR2CHTR2B

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 8 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-4257858-A REACTING A CYCLOHEXA-1,3-DIONE-2-DIAZIDE WITH AN ARYL COMPOUND UNION CARBIDE CORPORATION (US) 1981-03-24 US disclosed
US-4256658-A CYCLIZATION, BASIC CATALYST UNION CARBIDE CORPORATION (US) 1981-03-17 US disclosed
US-4256657-A CYCLIZATION, ACID 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