SCHEMBL10730081

SCHEMBL10730081

CC(=O)OC1=C(c2cc(Cl)ccc2Cl)C(=O)CC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.38
▸ OPRM1 P35372 2/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ PRKCZ Q05513 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35

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
SCHEMBL10731396 0.85 LMNA (0.41) KMT2AMAPTHPGDOPRM1CYP11B2
SCHEMBL10946923 0.82 KMT2A (0.46) KMT2AMAPTHPGDRXFP1OPRM1
SCHEMBL10732025 0.81 HPGD (0.38) KMT2AHPGDMEN1GAAALDH1A1
SCHEMBL10947522 0.81 PGR (0.42) KMT2AMAPTHPGDCYP11B2PTGS1
SCHEMBL10946106 0.80 PGR (0.42) KMT2AMAPTHPGDMEN1CYP11B2
SCHEMBL10735327 0.75 KMT2A (0.51) KMT2AMAPTHPGDMEN1GAA
SCHEMBL10948755 0.73 NPC1 (0.44) KMT2AMAPTHPGDMEN1ALDH1A1
SCHEMBL10750603 0.73 OPRM1 (0.36) KMT2AMAPTHPGDRXFP1OPRM1
SCHEMBL10731415 0.73 HPGD (0.39) KMT2AMAPTHPGDGAAALDH1A1
SCHEMBL10912398 0.72 P2RX7 (0.41) KMT2AMAPTHPGDCYP11B2GAA

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-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
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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