SCHEMBL10731396

SCHEMBL10731396

CC(=O)OC1=C(c2ccccc2Cl)C(=O)CC(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ HSP90AA1 P07900 2/20 0.40
▸ HSP90AB1 P08238 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ HPGD P15428 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL10731442 0.86 KMT2A (0.41) LMNAHSP90AA1HSP90AB1SMN1; SMN2OPRM1
SCHEMBL10730784 0.85 LMNA (0.38) LMNAHSP90AA1HSP90AB1SMN1; SMN2OPRM1
SCHEMBL10730081 0.85 KMT2A (0.40) LMNASMN1; SMN2OPRM1HPGDKMT2A
SCHEMBL10735327 0.84 KMT2A (0.51) LMNASMN1; SMN2HPGDKMT2AMAPT
SCHEMBL10948755 0.81 NPC1 (0.44) LMNASMN1; SMN2HPGDKMT2AMAPT
SCHEMBL10911015 0.81 STK10 (0.42) LMNAHSP90AA1HSP90AB1SMN1; SMN2OPRM1
SCHEMBL10736061 0.78 GAA (0.39) LMNAHSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL10946106 0.77 PGR (0.42) HSP90AA1HSP90AB1HPGDKMT2AMAPT
SCHEMBL10737255 0.76 KMT2A (0.36) LMNASMN1; SMN2HPGDKMT2AMAPT
SCHEMBL10948061 0.74 KMT2A (0.45) LMNASMN1; SMN2HPGDKMT2AMAPT

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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