SCHEMBL3396581

SCHEMBL3396581

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
MAPT P10636 3/20 0.51
CYP19A1 P11511 10/20 0.46
NR3C1 P04150 2/20 0.46
CYP3A4 P08684 1/20 0.46
HIF1A Q16665 1/20 0.44
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
CNR1 P21554 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5672145 0.93 LMNA (0.52) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL7877720 0.93 LMNA (0.52) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL18662883 0.91 LMNA (0.52) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL15994233 0.90 LMNA (0.51) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL2831630 0.85 LMNA (0.51) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL8587966 0.84 LMNA (0.54) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL1847854 0.83 LMNA (0.44) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL8661015 0.83 LMNA (0.44) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL6521590 0.83 LMNA (0.44) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL3399652 0.83 LMNA (0.51) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8944055-B2 Inhaler VECTURA DELIVERY DEVICES LIMITED (GB) 2015-02-03 US disclosed
US-20110048420-A1 INHALER VECTURA DELIVERY DEVICES LIMITED (GB) 2011-03-03 US disclosed
EP-2244770-A1 INHALER Vectura Delivery Devices Limited (GB) 2010-11-03 EP disclosed
EP-2178586-A2 INHALER Vectura Delivery Devices Limited (GB) 2010-04-28 EP disclosed
EP-2178587-A2 INHALER Vectura Delivery Devices Limited (GB) 2010-04-28 EP disclosed
US-20090229608-A1 Inhaler VENTURA DELIVERY DEVICES LIMITED (GB) 2009-09-17 US disclosed
EP-2082766-A1 Blister Strip Coil Forming Vectura Delivery Devices Limited (GB) 2009-07-29 EP disclosed
EP-2044099-A2 PROCESS FOR THE PREPARATION OF S-FLUOROMETHYL-6 ,9 -DIFLUORO-11 -HYDROXY-16 -METHYL-17 -PROPIONYLOXY-3-OXO-ANDROSTA-1,4-DIENE-17 -CARBOTHIOATE AND INTERMEDIATES Merck Generics (UK) Limited (GB) 2009-04-08 EP disclosed
EP-2031965-A2 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-03-11 EP disclosed
EP-2032142-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-11 EP disclosed
EP-1879579-A1 INHALATION DEVICE CONTAINING PLURAL DOSES OF A PHARMACEUTICAL COMPOSITION Boehringer Ingelheim International GmbH (DE) 2008-01-23 EP disclosed
WO-2007147104-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
WO-2007147109-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
WO-2007144668-A2 PROCESS FOR THE PREPARATION OF S-FLUOROMETHYL-6, 9 -DIFLUORO-11 -HYDROXY-16 -METHYL-17-PROPIONYLOXY-3-OXO-ANDROSTA-1,4-DIENE-17 -CARBOTHIOATE AND INTERMEDIATES GENERICS [UK] LIMITED (GB) 2007-12-21 WO disclosed
WO-2006134021-A2 PROCESS FOR PREPARING TIOTROPIUM SALTS, TIOTROPIUM SALTS AS SUCH AND PHARMACEUTICAL COMPOSITIONS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 WO disclosed
WO-2006117353-A1 INHALATION DEVICE CONTAINING PLURAL DOSES OF A PHARMACEUTICAL COMPOSITION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 WO disclosed
EP-1611149-A1 PROCESS FOR THE PREPARATION OF STEROIDAL CARBOTHIOIC ACID DERIVATIVES AND INTERMEDIATES Alpharma APS (DK) 2006-01-04 EP disclosed
EP-1534733-A2 CONVENIENT SYNTHESIS OF S-FLUOROMETHYL 6ALPHA, 9ALPHA-DIFLUORO-11BETA-HYDROXY-16ALPHA- METHYL-17ALPHA-PROPIONYLOXY-3-OXOANDROSTA-1, 4-DIENE-17BETA-CARBOTHIOATE Sun Pharmaceuticals Industries Ltd. (IN) 2005-06-01 EP disclosed
WO-2004087731-A1 PROCESS FOR THE PREPARATION OF STEROIDAL CARBOTHIOIC ACID DERIVATIVES AND INTERMEDIATES ALPHARMA APS (DK) 2004-10-14 WO disclosed
WO-2004001369-A2 CONVENIENT SYNTHESIS OF S-FLUOROMETHYL 6ALPHA, 9ALPHA-DIFLUORO-11BETA-HYDROXY-16ALPHA- METHYL-17ALPHA-PROPIONYLOXY-3-OXOANDROSTA-1, 4-DIENE-17BETA-CARBOTHIOATE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2003-12-31 WO disclosed