SCHEMBL4433488

SCHEMBL4433488

CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(O)n1CCCCCC(O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.49
SLCO1B1 Q9Y6L6 4/20 0.49
ABCB11 O95342 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
NR1I2 O75469 1/20 0.49
RHOC P08134 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
ABCC3 O15438 2/20 0.47
ABCC4 O15439 2/20 0.47
SLCO1B3 Q9NPD5 2/20 0.47
PDE6D O43924 3/20 0.43
ABCB1 P08183 1/20 0.41
ABCC2 Q92887 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
Calcium SCHEMBL4738406 0.99 HMGCR (0.48) HMGCRSLCO1B1ABCB11HDAC2HDAC1
SCHEMBL30668285 0.94 SLCO1B1 (0.49) HMGCRSLCO1B1ABCB11HDAC2HDAC1
SCHEMBL30668286 0.94 SLCO1B1 (0.49) HMGCRSLCO1B1ABCB11HDAC2HDAC1
SCHEMBL30668287 0.94 SLCO1B1 (0.49) HMGCRSLCO1B1ABCB11HDAC2HDAC1
SCHEMBL29804644 0.91 SLCO1B1 (0.51) HMGCRSLCO1B1ABCB11HDAC2HDAC1
SCHEMBL7080939 0.91 SLCO1B1 (0.51) HMGCRSLCO1B1ABCB11HDAC2HDAC1
SCHEMBL18051134 0.91 HMGCR (0.53) HMGCRSLCO1B1ABCB11HDAC2HDAC1
SCHEMBL29795041 0.84 SLCO1B1 (0.51) HMGCRSLCO1B1ABCB11HDAC2HDAC1
SCHEMBL6100481 0.74 SLCO1B1 (0.45) HMGCRSLCO1B1ABCB11HDAC2HDAC1
SCHEMBL3611017 0.74 HMGCR (0.77) HMGCRSLCO1B1ABCB11HDAC2HDAC1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3254219-B2 2002-02-04 JP claimed
EP-0680320-A1 STABLE ORAL CI-981 FORMULATION AND PROCESS OF PREPARING SAME Warner-Lambert Technologies, Inc. (US) 1995-11-08 EP claimed
WO-1994016693-A1 STABLE ORAL CI-981 FORMULATION AND PROCESS OF PREPARING SAME WARNER-LAMBERT COMPANY (US) 1994-08-04 WO claimed
CN-116574047-A Method for preparing atorvastatin calcium 杭州新曦科技有限公司 2023-08-11 CN disclosed
EP-4188338-A1 BILAYER TABLET COMPRISING EZETIMIBE AND ATORVASTATIN KRKA, d.d., Novo mesto (SI) 2023-06-07 EP disclosed
WO-2022023206-A1 BILAYER TABLET COMPRISING EZETIMIBE AND ATORVASTATIN KRKA, D.D., NOVO MESTO (SI) 2022-02-03 WO disclosed
EP-2575757-A1 WATER SOLUBLE FORMULATION COMPRISING A COMBINATION OF AMLODIPINE AND A STATIN Bilgic, Mahmut (TR) 2013-04-10 EP disclosed
WO-2009157005-A1 CRYSTALLINE FORMS OF ATORVASTATIN HEMI-MAGNESIUM SALT AND A PROCESS THEREOF BIOCON LIMITED (IN) 2009-12-30 WO disclosed
WO-2008075165-A1 NOVEL PROCESS FOR THE SYNTHESIS OF [R-(R*, R*)]-2-(4-FLUOROPHENYL)-BETA, DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed
EP-1756053-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN Ranbaxy Laboratories Limited (IN) 2007-02-28 EP disclosed
EP-1732886-A1 POLYMORPHS OF ATORVASTATIN TERT.-BUTYLESTER AND USE AS INTERMEDIATES FOR THE PREPARATION OF ATORVASTATIN KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2006-12-20 EP disclosed
EP-1562583-A1 ATORVASTATIN CALCIUM FORM VI OR HYDRATES THEREOF Morepen Laboratories Ltd. (IN) 2005-08-17 EP disclosed
WO-2005026116-A1 CRYSTALLINE FORMS OF `R-(R*,R*)]-2-(4-FLUOROPHENYL)-BETA,DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-`(PHENYLAMINO)CARBONYL!-1H-PYRROLE-1-HEPTANOIC ACID WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
CN-1524073-A ' R- (R, R) -2- (4-fluorophenyl) -beta, delta-dihydroxy-5- (1-methylethyl) -3-phenyl-4- (phenylamino) carbonyl-1H-pyrrole-1-heptanoic acid calcium salt (2: 1) (atorvastatin) ����-�����ع�˾ 2004-08-25 CN disclosed
WO-2004022053-A1 ATORVASTATIN CALCIUM FORM VI OR HYDRATES THEREOF MOREPEN LABORATORIES LIMITED (IN) 2004-03-18 WO disclosed
EP-1353917-A2 NOVEL PROCESS FOR THE SYNTHESIS OF 5-(4-FLUOROPHENYL)-1-(2-((2R, 4R)-4-HYDROXY -6-OXO-TETRAHYDRO-PYRAN-2-YL)-ETHYL)-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE WARNER-LAMBERT COMPANY (US) 2003-10-22 EP disclosed
WO-2002055519-A2 NOVEL PROCESS FOR THE SYNTHESIS OF 5-(4-FLUOROPHENYL)-1-[2-((2R, 4R)-4-HYDROXY -6-OXO-TETRAHYDRO-PYRAN-2-YL)-ETHYL]-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE WARNER LAMBERT CO (US) 2002-07-18 WO disclosed
EP-0915866-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF PROTECTED ESTERS OF (S)-3,4-DIHYDROXYBUTYRIC ACID WARNER-LAMBERT COMPANY (US) 1999-05-19 EP disclosed
WO-1998004543-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF PROTECTED ESTERS OF (S)-3,4-DIHYDROXYBUTYRIC ACID WARNER-LAMBERT COMPANY (US) 1998-02-05 WO disclosed
US-5003080-A Process for trans-6-(2-(substituted-pyrrol-1-yl)alkyl)pryan-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1991-03-26 US disclosed