SCHEMBL10731415

SCHEMBL10731415

CCCCCC(=O)OC1=C(c2ccc(Cl)cc2Cl)C(=O)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.39
▸ CNR1 P21554 3/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ POLM Q9NP87 1/20 0.34
▸ POLK Q9UBT6 1/20 0.34
▸ POLL Q9UGP5 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
SCHEMBL10732025 0.91 HPGD (0.38) HPGDCYP1A2CYP2C19ALDH1A1L3MBTL1
SCHEMBL10899959 0.84 KMT2A (0.41) HPGDCNR1ALDH1A1L3MBTL1TDP1
SCHEMBL10733838 0.82 KMT2A (0.38) HPGDALDH1A1L3MBTL1TDP1ALOX15
SCHEMBL10736180 0.82 L3MBTL1 (0.40) CNR1ALDH1A1L3MBTL1TDP1ALOX15
SCHEMBL10948933 0.82 KMT2A (0.37) HPGDALDH1A1TDP1EPHX2NPSR1
SCHEMBL10735404 0.82 POLM (0.41) HPGDALDH1A1L3MBTL1TDP1ALOX15
SCHEMBL10950579 0.81 HPGD (0.41) HPGDALDH1A1L3MBTL1TDP1ALOX15
SCHEMBL10944971 0.81 HPGD (0.38) HPGDALDH1A1TDP1ALOX15NPSR1
SCHEMBL10948656 0.79 HPGD (0.39) HPGDALDH1A1ALOX15GAANPSR1
SCHEMBL10951881 0.78 KMT2A (0.40) CYP1A2CYP2C19ALDH1A1L3MBTL1GAA

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 5 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
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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