SCHEMBL947528

SCHEMBL947528

C[C@@]12CCC[C@H]1[C@@H]1CCC3CCCC[C@]3(CS)[C@@H]1CC2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
NR1I3 Q14994 1/20 0.47
MBOAT4 Q96T53 3/20 0.41
GRIN1 Q05586 8/20 0.41
GRIN2B Q13224 8/20 0.41
CYP19A1 P11511 4/20 0.35
AKR1B10 O60218 1/20 0.33

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
SCHEMBL2195019 0.87 CDK5 (0.48) CDK5CDK5R1NR1I3MBOAT4GRIN1
SCHEMBL26060781 0.86 NR1I3 (0.50) CDK5CDK5R1NR1I3MBOAT4GRIN1
SCHEMBL10878141 0.86 NR1I3 (0.50) CDK5CDK5R1NR1I3MBOAT4GRIN1
SCHEMBL10878132 0.86 NR1I3 (0.50) CDK5CDK5R1NR1I3MBOAT4GRIN1
SCHEMBL11580475 0.86 NR1I3 (0.50) CDK5CDK5R1NR1I3MBOAT4GRIN1
SCHEMBL31620148 0.83 NR1I3 (0.48) CDK5CDK5R1NR1I3MBOAT4GRIN1
SCHEMBL28302658 0.83 CDK5 (0.45) CDK5CDK5R1NR1I3MBOAT4GRIN1
SCHEMBL10886068 0.83 CDK5 (0.48) CDK5CDK5R1NR1I3MBOAT4GRIN1
SCHEMBL10886062 0.83 CDK5 (0.48) CDK5CDK5R1NR1I3MBOAT4GRIN1
SCHEMBL27317899 0.80 GRIN1 (0.55) CDK5CDK5R1NR1I3MBOAT4GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050049231-A1 Local delivery of aromatase inhibitor using intravaginal device; estrogen dependent proliferative disorders of uterus; minimal side effects, longer term treatment, variable dosage ARES TRADING, S.A. (CH) 2005-03-03 US claimed
EP-1423165-A2 INTRAVAGINAL ADMINISTRATION OF AN AROMATASE INHIBITOR FOR THE TREATMENT OF OESTROGEN-DEPENDENT PROLIFERATIVE DISORDERS Metris Therapeutics Limited (GB) 2004-06-02 EP claimed
US-6696432-B1 SYNERGYSTIC MIXTURES OF PRASTERONE, PREFERENTIAL ENZYME INHIBITORS SUCH AS FORMESTANE, TESTOLACTONE OR VOROZOLE AND CARRIERS, ADMINISTERED FOR PROPHYLAXIS OF HYPOANDROGENISM SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-24 US claimed
WO-2003015872-A2 INTRAVAGINAL ADMINISTRATION OF AN AROMATASE INHIBITOR FOR THE TREATMENT OF OESTROGEN-DEPENDENT PROLIFERATIVE DISORDERS METRIS THERAPEUTICS LIMITED (GB) 2003-02-27 WO claimed
US-5733902-A Compounds having antiprogestational and anti-estrogenic activities for the treatment of hormone-dependent tumors SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-31 US claimed
EP-0100566-B1 NOVEL 19-THIO-ANDROSTANE DERIVATIVES AKZO N.V. (NL) 1986-02-19 EP claimed
US-4473564-A 19-Thio-androstane derivatives AKZO N.V. (NL) 1984-09-25 US claimed
EP-0100566-A1 Novel 19-thio-androstane derivatives AKZO N.V. (NL) 1984-02-15 EP claimed
US-7910570-B2 Composition comprising a combination of an aromatase inhibitor, a progestin and an oestrogen and its use for the treatment of endometriosis ASTRAZENECA AB (SE) 2011-03-22 US disclosed
US-20110009373-A1 COMPOSITION COMPRISING A COMBINATION OF AN AROMATASE INHIBITOR, A PROGESTIN AND AN OESTROGEN AND ITS USE FOR THE TREATMENT OF ENDOMETRIOSIS ASTRAZENECA AB (SE) 2011-01-13 US disclosed
EP-1857111-A2 Composition comprising a combination of an aromatase inhibitor, a progestin and an estrogen, and its use for the treatment of endometriosis AstraZeneca AB (SE) 2007-11-21 EP disclosed
EP-1589976-B1 USE OF A COMBINATION OF AN AROMATASE INHIBITOR, A PROGESTIN AND AN OESTROGEN FOR THE TREATMENT OF ENDOMETRIOSIS ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-20060142256-A1 Composition comprising a combination of an aromatase inhibitor, a progestin and an oestrogen and its use for the treatment of endometricosis ASTRAZENECA AB (SE) 2006-06-29 US disclosed
EP-1589976-A1 COMPOSITON COMPRISING A COMBINATION OF AN AROMATASE INHIBITOR, A PROGESTIN AND AN OESTROGEN AND ITS USE FOR THE TREATMENT OF ENDOMETRIOSIS Astrazeneca AB (SE) 2005-11-02 EP disclosed
US-4473564-A 19-Thio-androstane derivatives AKZO N.V. (NL) 1984-09-25 US disclosed
US-4473564-A 19-Thio-androstane derivatives AKZO N.V. (NL) 1984-09-25 US disclosed
US-4473564-A 19-Thio-androstane derivatives AKZO N.V. (NL) 1984-09-25 US disclosed
EP-0100566-A1 Novel 19-thio-androstane derivatives AKZO N.V. (NL) 1984-02-15 EP disclosed
EP-0100566-A1 Novel 19-thio-androstane derivatives AKZO N.V. (NL) 1984-02-15 EP disclosed
EP-0100566-A1 Novel 19-thio-androstane derivatives AKZO N.V. (NL) 1984-02-15 EP disclosed