SCHEMBL10911473

SCHEMBL10911473

Cc1ccccc1C1=C(OC(=O)c2ccccc2[S+](C)[O-])CC(C)(C)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ LMNA P02545 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HIF1A Q16665 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ BRD4 O60885 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
SCHEMBL11094467 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10OPRM1LMNA
SCHEMBL10911480 0.76 MAPT (0.38) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL10729623 0.73 KMT2A (0.39) ALDH1A1KDM4EHSD17B10OPRM1LMNA
SCHEMBL11331757 0.73 LMNA (0.35) ALDH1A1KDM4EHSD17B10OPRM1LMNA
SCHEMBL11334704 0.69 LMNA (0.32) OPRM1LMNASMN1; SMN2
SCHEMBL11127856 0.68 NPSR1 (0.40) ALDH1A1KDM4ENPSR1L3MBTL1POLB
SCHEMBL11095941 0.68 OPRM1 (0.39) ALDH1A1KDM4EOPRM1LMNASMN1; SMN2
SCHEMBL11096198 0.67 BRD4 (0.49) OPRM1LMNASMN1; SMN2L3MBTL1BRD4
SCHEMBL11333310 0.67 LMNA (0.31) LMNA
SCHEMBL11093637 0.66 BRD4 (0.38) ALDH1A1KDM4EOPRM1LMNAKMT2A

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 5 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
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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