SCHEMBL6006777

SCHEMBL6006777

C[C@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 1.00
SHBG P04278 3/20 1.00
CYP3A4 P08684 3/20 0.80
AR P10275 3/20 0.77
SERPINA6 P08185 3/20 0.74
LMNA P02545 3/20 0.65
HSD17B10 Q99714 3/20 0.65
NR3C1 P04150 2/20 0.65
PGR P06401 2/20 0.65
TSHR P16473 2/20 0.65
SNCA P37840 2/20 0.65
CACNA1C Q13936 2/20 0.65
CYP51A1 Q16850 2/20 0.65
GPBAR1 Q8TDU6 2/20 0.65
SIGMAR1 Q99720 2/20 0.65
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.65
OR51E2 Q9H255 1/20 0.65

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
SCHEMBL11524096 1.00 CYP19A1 (1.00) CYP19A1SHBGCYP3A4ARSERPINA6
SCHEMBL6006779 1.00 CYP19A1 (1.00) CYP19A1SHBGCYP3A4ARSERPINA6
SCHEMBL5021333 1.00 CYP19A1 (1.00) CYP19A1SHBGCYP3A4ARSERPINA6
SCHEMBL10273241 1.00 CYP19A1 (1.00) CYP19A1SHBGCYP3A4ARSERPINA6
6Beta-Hydroxytestosterone SCHEMBL135030 0.89 CYP3A4 (1.00) CYP19A1SHBGCYP3A4ARSERPINA6
6Beta-Hydroxytestosterone SCHEMBL3278189 0.89 CYP3A4 (1.00) CYP19A1SHBGCYP3A4ARSERPINA6
6Beta-Hydroxytestosterone SCHEMBL14067596 0.89 CYP3A4 (1.00) CYP19A1SHBGCYP3A4ARSERPINA6
6Beta-Hydroxytestosterone SCHEMBL127408 0.89 CYP3A4 (1.00) CYP19A1SHBGCYP3A4ARSERPINA6
6Beta-Hydroxytestosterone SCHEMBL13752809 0.89 CYP3A4 (1.00) CYP19A1SHBGCYP3A4ARSERPINA6
6Beta-Hydroxytestosterone SCHEMBL28056047 0.89 CYP3A4 (1.00) CYP19A1SHBGCYP3A4ARSERPINA6

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
WO-2003068314-A1 PULMONARY ADMINISTRATION OF 6-ALPHA-ALKYLATED TESTOSTERONE DERIVATIVES FOR ANDROGEN REPLACEMENT THERAPY PANTARHEI BIOSCIENCE B.V. (NL) 2003-08-21 WO claimed
EP-0941039-A4 TRANSDERMAL ADMINISTRATION OF MENT POPULATION COUNCIL INC (US) 2006-06-21 EP disclosed
US-7018648-B2 Transdermal device for administering testosterone or one of the derivatives thereof PIERRE FABRE MEDICAMENT (FR) 2006-03-28 US disclosed
US-20050256051-A1 Nuclear receptor-mediated introduction of a PNA into cell nuclei THE POPULATION COUNCIL, INC. (US) 2005-11-17 US disclosed
US-20050100586-A1 Transdermal device for administering testosterone or one of the derivatives thereof PIERRE FABRE MEDICAMENT (FR) 2005-05-12 US disclosed
EP-1392366-A4 NUCLEAR RECEPTOR-MEDIATED INTRODUCTION OF A PNA INTO CELL NUCLEI POPULATION COUNCIL INC (US) 2005-01-19 EP disclosed
EP-0966288-A4 ANDROGEN AS A MALE CONTRACEPTIVE AND NON-CONTRACEPTIVE ANDROGEN REPLACEMENT POPULATION COUNCIL INC (US) 2004-11-10 EP disclosed
EP-1178806-B1 TRANSDERMAL DEVICE FOR THE APPLICATION OF TESTOSTERONE OR ONE OF THE DERIVATIVES THEREOF PF MEDICAMENT (FR) 2004-09-01 EP disclosed
US-6767902-B2 Androgen as a male contraceptive and non-contraceptive androgen replacement THE POPULATION COUNCIL, INC. 2004-07-27 US disclosed
US-20040126418-A1 Transdermal administration of MENT THE POPULATION COUNCIL, INC. 2004-07-01 US disclosed
US-20030096739-A1 Nuclear receptor-mediated introduction of a PNA into cell nuclei POPULATION COUNCIL, INC., THE 2003-05-22 US disclosed
US-20020193359-A1 Administering to a non-sterile male subject a predetermined amount of an androgen which is sufficient to render male subject reversibly sterile for a predetermined period of time POPULATION COUNCIL, INC., THE 2002-12-19 US disclosed
WO-2002083186-A1 NUCLEAR RECEPTOR-MEDIATED INTRODUCTION OF A PNA INTO CELL NUCLEI THE POPULATION COUNCIL, INC. (US) 2002-10-24 WO disclosed
US-20020012694-A1 TRANSDERMAL ADMINISTRATION OF MENT POPULATION COUNCIL, INC., THE, A CORP. OF NY 2002-01-31 US disclosed
EP-0966288-A1 ANDROGEN AS A MALE CONTRACEPTIVE AND NON-CONTRACEPTIVE ANDROGEN REPLACEMENT THE POPULATION COUNCIL, INC. (US) 1999-12-29 EP disclosed
EP-0941039-A1 TRANSDERMAL ADMINISTRATION OF MENT THE POPULATION COUNCIL, INC. (US) 1999-09-15 EP disclosed
WO-1999013812-A1 TRANSDERMAL ADMINISTRATION OF MENT THE POPULATION COUNCIL, INC. (US) 1999-03-25 WO disclosed
WO-1999013883-A1 ANDROGEN AS A MALE CONTRACEPTIVE AND NON-CONTRACEPTIVE ANDROGEN REPLACEMENT THE POPULATION COUNCIL, INC. (US) 1999-03-25 WO disclosed
US-5342834-A Administering testosterone derivatives THE POPULATION COUNCIL, INC. (US) 1994-08-30 US disclosed
US-4160027-A OXYTOCICS, 4A,5A-EPOXY-2A-CYANO-3-OXOSTEROIDES, STEROIDO(2,3-O)ISOOXAZOLES STERLING DRUG INC. (US) 1979-07-03 US disclosed