SCHEMBL10911543

SCHEMBL10911543

CCSc1ccccc1C(=O)OC1=C(c2ccc(C)cc2C)C(=O)CC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALOX15 P16050 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HPGD P15428 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ MAPT P10636 4/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL11093637 0.78 BRD4 (0.38) ALDH1A1KDM4EOPRM1SMN1; SMN2L3MBTL1
SCHEMBL11098282 0.76 BRD4 (0.37) ALDH1A1KDM4EOPRM1SMN1; SMN2L3MBTL1
SCHEMBL10909040 0.76 BRD4 (0.34) ALDH1A1KDM4EOPRM1SMN1; SMN2L3MBTL1
SCHEMBL11098604 0.75 BRD4 (0.35) ALDH1A1KDM4EOPRM1SMN1; SMN2L3MBTL1
SCHEMBL11094830 0.75 KDM4E (0.38) ALDH1A1HSD17B10KDM4ESMN1; SMN2L3MBTL1
SCHEMBL10733838 0.74 KMT2A (0.38) ALDH1A1OPRM1SMN1; SMN2L3MBTL1ALOX15
SCHEMBL11099865 0.73 BRD4 (0.43) OPRM1L3MBTL1
SCHEMBL10735397 0.73 KDM4E (0.37) ALDH1A1KDM4EOPRM1SMN1; SMN2L3MBTL1
SCHEMBL11098815 0.73 TP53 (0.35) ALDH1A1HSD17B10KDM4EOPRM1SMN1; SMN2
SCHEMBL10911409 0.73 BRD4 (0.35) ALDH1A1KDM4EOPRM1SMN1; SMN2L3MBTL1

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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