SCHEMBL11127856

SCHEMBL11127856

CCCCC(CC)C(=O)OC1=C(c2ccccc2C)C(=O)CC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ EHMT2 Q96KQ7 3/20 0.35

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
SCHEMBL11453111 0.94 GAA (0.38) NPSR1GAAXBP1ATML3MBTL1
SCHEMBL10736061 0.89 GAA (0.39) NPSR1GAAXBP1ATML3MBTL1
SCHEMBL10735333 0.88 GAA (0.41) NPSR1GAAXBP1ATML3MBTL1
SCHEMBL10731274 0.88 GAA (0.41) NPSR1GAAXBP1ATML3MBTL1
SCHEMBL10945273 0.86 GAA (0.42) NPSR1GAAXBP1ATML3MBTL1
SCHEMBL10947941 0.83 GAA (0.41) NPSR1GAAXBP1ATML3MBTL1
SCHEMBL10944849 0.83 GAA (0.41) NPSR1GAAXBP1ATML3MBTL1
SCHEMBL10736180 0.81 L3MBTL1 (0.40) NPSR1GAAXBP1ATML3MBTL1
SCHEMBL10945092 0.80 GAA (0.40) NPSR1GAAXBP1ATML3MBTL1
SCHEMBL10950666 0.79 EHMT2 (0.41) NPSR1GAAXBP1ATML3MBTL1

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 4 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
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 claimed
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 claimed
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
Send feedback