SCHEMBL10736443

SCHEMBL10736443

CC1(C)CC(=O)C(c2ccccc2Br)=C(OC(=O)c2ccc(Cl)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.49
▸ MAPT P10636 8/20 0.49
▸ HPGD P15428 3/20 0.49
▸ ALDH1A1 P00352 6/20 0.37
▸ MEN1 O00255 5/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MIF P14174 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ NR1I2 O75469 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
SCHEMBL10735327 0.89 KMT2A (0.51) KMT2AMAPTHPGDALDH1A1MEN1
SCHEMBL10911015 0.78 STK10 (0.42) KMT2AMAPTHPGDALDH1A1RAB9A
SCHEMBL10729623 0.76 KMT2A (0.39) KMT2AMAPTHPGDALDH1A1MEN1
SCHEMBL10732412 0.76 MAPK1 (0.40) KMT2AMAPTHPGDALDH1A1CYP1A2
SCHEMBL10911480 0.74 MAPT (0.38) KMT2AMAPTHPGDALDH1A1LMNA
SCHEMBL10731396 0.72 LMNA (0.41) KMT2AMAPTHPGDALDH1A1RAB9A
SCHEMBL10737255 0.70 KMT2A (0.36) KMT2AMAPTHPGDALDH1A1GAA
SCHEMBL10946923 0.70 KMT2A (0.46) KMT2AMAPTHPGDALDH1A1MEN1
SCHEMBL11820301 0.69 MAPT (0.49) KMT2AMAPTHPGDALDH1A1CYP1A2
SCHEMBL11820295 0.69 MAPT (0.49) KMT2AMAPTHPGDALDH1A1CYP1A2

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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