Levoketoconazole

Levoketoconazole

SCHEMBL959168

CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1.c1c[nH]nn1

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYP11A1CYP11B1CYP11B2CYP17A1ERG11

The experimentally established mechanism targets of Levoketoconazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 known ✓ P05093 15/20 0.88
▸ CYP11B1 known ✓ P15538 14/20 0.88
▸ CYP11B2 known ✓ P19099 1/20 0.88
▸ CYP3A4 P08684 19/20 0.88
▸ CYP21A2 P08686 16/20 0.88
▸ CYP19A1 P11511 16/20 0.88
▸ USP2 O75604 2/20 0.88
▸ MAPT P10636 2/20 0.88
▸ MAPK1 P28482 2/20 0.88
▸ SMN1; SMN2 Q16637 2/20 0.88
▸ TDP1 Q9NUW8 2/20 0.88
▸ MEN1 O00255 1/20 0.88
▸ SLC22A1 O15245 1/20 0.88
▸ ABCC4 O15439 1/20 0.88
▸ CYP27B1 O15528 1/20 0.88
▸ CYP26A1 O43174 1/20 0.88
▸ NR1I2 O75469 1/20 0.88
▸ GMNN O75496 1/20 0.88
▸ ABCB11 O95342 1/20 0.88
▸ ALDH1A1 P00352 1/20 0.88

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
Levoketoconazole SCHEMBL29384825 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL41473 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL1517472 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL8407 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Ketoconazole SCHEMBL18258319 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL24312989 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Ketoconazole SCHEMBL8408 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL13575830 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL13606596 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL29588034 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329675-A1 Testing of Biofilm for Anti-microbial Agent Susceptibility OLSON MERLE E (CA) 2012-12-27 — — US disclosed
WO-2011009213-A1 TESTING OF BIOFILM FOR ANTI-MICROBIAL AGENT SUSCEPTIBILITY INNOVOTECH, INC. (CA) 2011-01-27 — — WO disclosed
US-20080318269-A1 Devices and Methods for the Analysis of Biofilm OLSON MERLE E 2008-12-25 — — US disclosed
US-20080318268-A1 Devices and Methods for the Selection of Agents with Efficacy Against Biofilm OLSON MERLE E 2008-12-25 — — US disclosed
EP-1915458-A1 PLATE FOR SELECTION OF ANTIBIOTICS AGAINST BIOFILM INFECTIONS MBEC BIOPRODUCTS INC. (CA) 2008-04-30 — — EP disclosed
WO-2008014581-A1 PLATE FOR SELECTION OF ANTIBIOTICS AGAINST BIOFILM INFECTIONS MBEC BIOPRODUCTS INC. (CA) 2008-02-07 — — WO disclosed
WO-2008014580-A1 PLATE FOR SELECTION OF ANTIBIOTICS AGAINST BIOFILM INFECTIONS MBEC BIOPRODUCTS INC. (CA) 2008-02-07 — — WO disclosed
WO-2002005850-A2 ENHANCEMENT OF THE ACTION OF ANTI-INFECTIVE AGENTS PITMY INTERNATIONAL N.V. (AN) 2002-01-24 — — WO disclosed
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