SCHEMBL10909040

SCHEMBL10909040

CSCC(=O)OC1=C(c2ccc(C)cc2C)C(=O)CC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ OPRM1 P35372 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL11098604 0.86 BRD4 (0.35) BRD4OPRM1CYP2C19MAPTKMT2A
SCHEMBL11093637 0.85 BRD4 (0.38) BRD4OPRM1CYP2C19MAPTKMT2A
SCHEMBL10911409 0.83 BRD4 (0.35) BRD4OPRM1MAPTKMT2AALDH1A1
SCHEMBL10733838 0.83 KMT2A (0.38) BRD4OPRM1KMT2AALDH1A1TDP1
SCHEMBL11092386 0.83 CNR1 (0.37) BRD4OPRM1CYP2C19MAPTKMT2A
SCHEMBL11098282 0.82 BRD4 (0.37) BRD4OPRM1CYP2C19MAPTKMT2A
SCHEMBL10735397 0.80 KDM4E (0.37) BRD4OPRM1CYP2C19MAPTKMT2A
SCHEMBL11094187 0.79 MAPK1 (0.35) BRD4OPRM1CYP2C19MAPTKMT2A
SCHEMBL11097162 0.78 BRD4 (0.40) BRD4OPRM1CYP2C19MAPTKMT2A
SCHEMBL11094830 0.78 KDM4E (0.38) BRD4MAPTKMT2AALDH1A1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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