SCHEMBL10731442

SCHEMBL10731442

CC1(C)CC(=O)C(c2ccccc2Cl)=C(OC(=O)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSP90AA1 P07900 2/20 0.39
▸ HSP90AB1 P08238 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HTT P42858 3/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SLC6A3 Q01959 1/20 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
SCHEMBL10735327 0.93 KMT2A (0.51) KMT2AMAPTHPGDLMNAALDH1A1
SCHEMBL10911015 0.89 STK10 (0.42) KMT2AMAPTHPGDHSP90AA1HSP90AB1
SCHEMBL10731396 0.86 LMNA (0.41) KMT2AMAPTHPGDHSP90AA1HSP90AB1
SCHEMBL10729623 0.84 KMT2A (0.39) KMT2AMAPTHPGDLMNAALDH1A1
SCHEMBL10737255 0.84 KMT2A (0.36) KMT2AMAPTHPGDLMNAALDH1A1
SCHEMBL10736443 0.81 KMT2A (0.49) KMT2AMAPTHPGDLMNAALDH1A1
SCHEMBL10732412 0.77 MAPK1 (0.40) KMT2AMAPTHPGDHSP90AA1LMNA
SCHEMBL10911480 0.75 MAPT (0.38) KMT2AMAPTHPGDLMNAALDH1A1
SCHEMBL10730081 0.72 KMT2A (0.40) KMT2AMAPTHPGDLMNAALDH1A1
SCHEMBL10898611 0.71 STK10 (0.42) KMT2AMAPTHSP90AA1HSP90AB1LMNA

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
Send feedback