Levoketoconazole

Levoketoconazole

SCHEMBL459801

CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1.c1c[nH]cn1

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 SCHEMBL7175329 0.94 CYP3A4 (0.92) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL13575830 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL1517472 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL13606596 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL41473 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL24312989 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL8407 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Ketoconazole SCHEMBL8408 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Ketoconazole SCHEMBL18258319 0.94 CYP3A4 (1.00) CYP3A4CYP21A2CYP19A1CYP17A1CYP11B1
Levoketoconazole SCHEMBL29384825 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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3949962-B1 COMPOSITIONS AGAINST CANDIDA INFECTIONS UNIV LEUVEN KATH (BE) 2023-09-13 EP disclosed
EP-3949962-A1 COMPOSITIONS AGAINST CANDIDA INFECTIONS Katholieke Universiteit Leuven (BE) 2022-02-09 EP disclosed
EP-3468599-A2 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2019-04-17 EP disclosed
EP-3469000-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2019-04-17 EP disclosed
EP-3468996-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2019-04-17 EP disclosed
EP-3468615-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2019-04-17 EP disclosed
EP-3468993-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2019-04-17 EP disclosed
EP-3468598-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2019-04-17 EP disclosed
EP-3468616-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2019-04-17 EP disclosed
EP-3468596-A2 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2019-04-17 EP disclosed
WO-2012012759-A2 ANTI-TUMOR ANTIGEN ANTIBODIES AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-26 WO disclosed
WO-2011140254-A1 ANTIBODIES AGAINST EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) AND USES THEREOF ADIMAB, LLC (US) 2011-11-10 WO disclosed
WO-2011047180-A1 BISPECIFIC BINDING AGENTS TARGETING IGF-1R AND ERBB3 SIGNALLING AND USES THEREOF MERRIMACK PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
WO-2011022727-A2 ANTIBODIES AGAINST THE ECTODOMAIN OF ERBB3 AND USES THEREOF MERRIMACK PHARMACEUTICALS, INC. (US) 2011-02-24 WO disclosed
CN-101674846-A Antibodies against erbb3 and uses thereof MERRIMACK PHARMACEUTICALS INC 2010-03-17 CN disclosed
EP-2129396-A2 ANTIBODIES AGAINST ERBB3 AND USES THEREOF Merrimack Pharmaceuticals, Inc. (US) 2009-12-09 EP disclosed
WO-2008100624-A2 ANTIBODIES AGAINST ERBB3 AND USES THEREOF MERRIMACK PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
CN-1481797-A Composition comprising ketoconazole and sultifen 重庆华邦制药股份有限公司 2004-03-17 CN disclosed
US-6632921-B1 Administering as topical fungicide against Candida G. D SEARLE & CO 2003-10-14 US disclosed
US-5942600-A COMPOUNDS WITH SELECTIVE CONTROL OF FUNGAL ORGANISM CANDIDA ALBICANS FOR TREATMENT IN HUMANS, FOR EXAMPLE THOSE WITH WEAKENED IMMUNE SYSTEMS DUE TO AIDS; SPECIES-SPECIFIC CONTROL G. D. SEARLE & CO. (US) 1999-08-24 US disclosed