SCHEMBL10736625

SCHEMBL10736625

CCCCC(CC)C(=O)OC1=C(c2ccccc2Cl)C(=O)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA2 P00918 3/20 0.36
▸ CA1 P00915 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ MAPK1 P28482 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL10736061 0.84 GAA (0.39) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10733922 0.82 L3MBTL1 (0.37) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10898795 0.74 GAA (0.43) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10898014 0.72 GAA (0.42) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL11127856 0.72 NPSR1 (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10736180 0.72 L3MBTL1 (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10731079 0.69 GAA (0.37) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL11094856 0.69 KMT2A (0.40) GAAALDH1A1HSP90AA1HSP90AB1MEN1
SCHEMBL10730146 0.69 L3MBTL1 (0.36) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17938465 0.69 CA2 (0.56) 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 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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