SCHEMBL1847854

SCHEMBL1847854

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(=O)CCO)C(=O)S[C@H]1CCOC1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
CYP19A1 P11511 9/20 0.42
NR3C1 P04150 3/20 0.40
CYP3A4 P08684 2/20 0.40
PGR P06401 2/20 0.39
HIF1A Q16665 1/20 0.39
NR1I2 O75469 1/20 0.39
CNR1 P21554 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8661015 1.00 LMNA (0.44) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL6521590 1.00 LMNA (0.44) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL6676011 0.93 LMNA (0.45) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL8695467 0.90 LMNA (0.43) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL7877720 0.86 LMNA (0.52) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL5672145 0.86 LMNA (0.52) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL3396581 0.83 LMNA (0.51) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL15994233 0.83 LMNA (0.51) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL6888641 0.81 CYP19A1 (0.36) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL6036866 0.81 CYP19A1 (0.36) LMNAMAPTCYP19A1NR3C1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007500233-A 2007-01-11 JP claimed
EP-1706371-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2006-10-04 EP claimed
EP-1641744-A2 CRYSTALLINE FORM OF B2 ADRENERGIC RECEPTOR AGONIST Theravance, Inc. (US) 2006-04-05 EP claimed
WO-2005070872-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-08-04 WO claimed
WO-2004106279-A2 CRYSTALLINE FORM OF β2 ADRENERGIC RECEPTOR AGONIST THERAVANCE, INC. (US) 2004-12-09 WO claimed
EP-2323656-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-25 EP disclosed
EP-2249646-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2249647-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2249830-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 EP disclosed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP disclosed
WO-2010074219-A1 BENZOTHIOPHEN COMPOUND アステラス製薬株式会社 (JP) 2010-07-01 WO disclosed
WO-2010071581-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A B2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
WO-2009001132-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2007124423-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-01 WO disclosed
EP-1723142-A1 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 EP disclosed
WO-2005087763-A1 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
EP-1532104-A1 CRYSTALLINE BETA-2 ADRENERGIC RECEPTOR AGONIST Theravance, Inc. (US) 2005-05-25 EP disclosed
WO-2004011416-A1 CRYSTALLINE β2 ADRENERGIC RECEPTOR AGONIST THERAVANCE, INC. (US) 2004-02-05 WO disclosed
EP-1360174-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-11-12 EP disclosed
WO-2002066422-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-08-29 WO disclosed