SCHEMBL10730146

SCHEMBL10730146

CCCCC(CC)C(=O)OC1=C(c2ccccc2Br)C(=O)C(C)C(C)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CA2 P00918 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL10731079 0.81 GAA (0.37) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL10736625 0.69 GAA (0.40) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL20519779 0.67 KDM4E (0.47) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL17938465 0.67 CA2 (0.56) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL11127856 0.66 NPSR1 (0.40) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL10945222 0.66 NPSR1 (0.44) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL2294906 0.65 L3MBTL1 (0.59) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL10736061 0.65 GAA (0.39) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL10901782 0.65 ATM (0.37) L3MBTL1GAAXBP1ATMNPSR1
O-Xylene SCHEMBL27721328 0.65 CA2 (0.50) L3MBTL1GAAXBP1ATMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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