SCHEMBL5713367

SCHEMBL5713367

C[C@@H]1CCC(=O)C(C)(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
KMT2A Q03164 3/20 0.33
CYP19A1 P11511 12/20 0.33
ESR2 Q92731 2/20 0.31
ESR1 P03372 1/20 0.31
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
CA9 Q16790 1/20 0.30
CYP3A4 P08684 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
SCHEMBL1238109 1.00 CA1 (0.34) CA1CA2CA4KMT2ACYP19A1
SCHEMBL15660011 0.75 CRBN (0.35) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL9959584 0.71 CYP19A1 (0.36) CYP19A1
SCHEMBL9960249 0.69 CRBN (0.32)
SCHEMBL11368267 0.68 CA1 (0.37) CA1CA2CA4KMT2ACYP19A1
SCHEMBL9959189 0.67 MME (0.30)
SCHEMBL5911624 0.67 DDB1 (0.51) KMT2ACYP19A1
SCHEMBL660844 0.67
SCHEMBL7751356 0.65 CRBN (0.36) KMT2ACYP19A1ESR2ESR1MEN1
SCHEMBL23645791 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0982406-B1 Microbial production of actinol DSM IP ASSETS BV (NL) 2006-03-01 EP claimed
US-6444460-B1 A PROCESS FOR MAKING (4R, 6R)-4-HYDROXY-2,2,6-TRIMETHYLCYCLOHEXANONE BY CONTACTING (6R)-2,2,6-TRIMETHYLCYCLOHEXANEDIONE WITH A MICROORGANISM WHICH IS SELECTED FROM MICROORGANISMS OF THE GENERA ROCHE VITAMINS, INC. 2002-09-03 US claimed
EP-0982406-A2 Microbial production of actinol F. HOFFMANN-LA ROCHE AG (CH) 2000-03-01 EP claimed
CN-1246466-C Microbe process for preparing (4R, 6R)-4-hydroxyl-2,2,6-trimethyl cyclohexanone DSM IP ASSET N V (NL) 2006-03-22 CN disclosed
EP-0982406-B1 Microbial production of actinol DSM IP ASSETS BV (NL) 2006-03-01 EP disclosed
US-6444460-B1 A PROCESS FOR MAKING (4R, 6R)-4-HYDROXY-2,2,6-TRIMETHYLCYCLOHEXANONE BY CONTACTING (6R)-2,2,6-TRIMETHYLCYCLOHEXANEDIONE WITH A MICROORGANISM WHICH IS SELECTED FROM MICROORGANISMS OF THE GENERA ROCHE VITAMINS, INC. 2002-09-03 US disclosed
US-6444460-B1 A PROCESS FOR MAKING (4R, 6R)-4-HYDROXY-2,2,6-TRIMETHYLCYCLOHEXANONE BY CONTACTING (6R)-2,2,6-TRIMETHYLCYCLOHEXANEDIONE WITH A MICROORGANISM WHICH IS SELECTED FROM MICROORGANISMS OF THE GENERA ROCHE VITAMINS, INC. 2002-09-03 US disclosed
EP-0982406-A3 Microbial production of actinol F. HOFFMANN-LA ROCHE AG (CH) 2000-09-20 EP disclosed
CN-1254760-A Microbe process for preparing (4R, 6R)-4-hydroxyl-2,2,6-trimethyl cyclohexanone HOFFMANN LA ROCHE (CH) 2000-05-31 CN disclosed
JP-2000069986-A PRODUCTION OF ACTINOL BY MICROORGANISM F HOFFMANN LA ROCHE AG 2000-03-07 JP disclosed
EP-0982406-A2 Microbial production of actinol F. HOFFMANN-LA ROCHE AG (CH) 2000-03-01 EP disclosed
EP-0982406-A2 Microbial production of actinol F. HOFFMANN-LA ROCHE AG (CH) 2000-03-01 EP disclosed