SCHEMBL10736061

SCHEMBL10736061

CCCCC(CC)C(=O)OC1=C(c2ccccc2Cl)C(=O)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 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
SCHEMBL11127856 0.89 NPSR1 (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10736180 0.88 L3MBTL1 (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10733922 0.87 L3MBTL1 (0.37) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10945273 0.85 GAA (0.42) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10736625 0.84 GAA (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10945092 0.84 GAA (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10950430 0.83 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL11453111 0.83 GAA (0.38) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10950666 0.82 EHMT2 (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10731274 0.81 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4422870-A MITICIDE, MITE OVICIDE, HERBICIDE UNION CARBIDE CORPORATION (US) 1983-12-27 — — 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
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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