SCHEMBL10735397

SCHEMBL10735397

Cc1ccc(C2=C(OC(=O)C(F)(F)F)CC(C)(C)CC2=O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ BRD4 O60885 1/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ BUB1 O43683 1/20 0.31

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
SCHEMBL10750603 0.89 OPRM1 (0.36) OPRM1ALDH1A1MAPTKMT2ALMNA
SCHEMBL11093637 0.87 BRD4 (0.38) KDM4ERAD52ATMBRD4OPRM1
SCHEMBL11098282 0.84 BRD4 (0.37) KDM4ERAD52ATMBRD4OPRM1
SCHEMBL11098604 0.81 BRD4 (0.35) KDM4EBRD4OPRM1ALDH1A1MAPT
SCHEMBL11094187 0.81 MAPK1 (0.35) KDM4EBRD4OPRM1ALDH1A1MAPT
SCHEMBL11097162 0.80 BRD4 (0.40) KDM4EBRD4OPRM1ALDH1A1MAPT
SCHEMBL10909040 0.80 BRD4 (0.34) KDM4EBRD4OPRM1ALDH1A1MAPT
SCHEMBL10911409 0.79 BRD4 (0.35) KDM4EBRD4OPRM1ALDH1A1MAPT
SCHEMBL10733838 0.78 KMT2A (0.38) BRD4OPRM1ALDH1A1KMT2AMEN1
SCHEMBL11092386 0.78 CNR1 (0.37) KDM4EBRD4OPRM1ALDH1A1MAPT

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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