SCHEMBL10729616

SCHEMBL10729616

CCCCCC(=O)OC1=C(c2ccc(Cl)cc2Cl)C(=O)CC2CCCCC12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CNR1 P21554 4/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ HPGD P15428 1/20 0.34
▸ NAAA Q02083 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SLC6A3 Q01959 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SLC6A4 P31645 2/20 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
SCHEMBL10897552 0.80 KMT2A (0.47) KMT2ASMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL10951360 0.75 KMT2A (0.47) KMT2ASMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL10899959 0.74 KMT2A (0.41) KMT2ASMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL10731415 0.71 HPGD (0.39) KMT2ASMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL10900135 0.71 SLC6A3 (0.39) CNR1CNR2SLC6A3NPC1RAB9A
SCHEMBL10949847 0.70 KMT2A (0.41) KMT2ASMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL27765388 0.67 MAPT (0.57) KMT2ASMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL10896926 0.67 KMT2A (0.39) KMT2ASMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL11372640 0.66 POLM (0.47) KMT2ASMN1; SMN2TDP1MEN1ALOX15
SCHEMBL10950173 0.65 KMT2A (0.45) KMT2ASMN1; SMN2ALDH1A1TDP1MEN1

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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