SCHEMBL6017712

SCHEMBL6017712

CC1CC2=CC(=O)CC[C@]2(C)[C@H]2C(O)C[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 5/20 0.71
▸ ALDH1A1 P00352 3/20 0.64
▸ CYP19A1 P11511 1/20 0.54
▸ HIF1A Q16665 6/20 0.53
▸ LMNA P02545 2/20 0.53
▸ NR3C1 P04150 4/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ PGR P06401 4/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ SERPINA6 P08185 2/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ NR3C2 P08235 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ AR P10275 4/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL4924871 1.00 SHBG (0.71) SHBGALDH1A1CYP19A1HIF1ALMNA
SCHEMBL11691797 1.00 SHBG (0.71) SHBGALDH1A1CYP19A1HIF1ALMNA
SCHEMBL11691787 1.00 SHBG (0.71) SHBGALDH1A1CYP19A1HIF1ALMNA
SCHEMBL14318934 0.84 NR3C1 (0.58) SHBGALDH1A1CYP19A1HIF1ALMNA
Calusterone SCHEMBL4509 0.83 SHBG (1.00) SHBGALDH1A1CYP19A1HIF1ALMNA
Bolasterone SCHEMBL11876760 0.83 SHBG (1.00) SHBGALDH1A1CYP19A1HIF1ALMNA
Bolasterone SCHEMBL4945157 0.83 SHBG (1.00) SHBGALDH1A1CYP19A1HIF1ALMNA
Bolasterone SCHEMBL145066 0.83 SHBG (1.00) SHBGALDH1A1CYP19A1HIF1ALMNA
Bolasterone SCHEMBL10904938 0.83 SHBG (1.00) SHBGALDH1A1CYP19A1HIF1ALMNA
Bolasterone SCHEMBL5656551 0.83 SHBG (1.00) SHBGALDH1A1CYP19A1HIF1ALMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20040132698-A1 Androgen as a male contraceptive and non-contraceptive androgen replacement MOO-YOUNG ALFRED J (US) 2004-07-08 — — 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
US-20020012694-A1 TRANSDERMAL ADMINISTRATION OF MENT POPULATION COUNCIL, INC., THE, A CORP. OF NY 2002-01-31 — — US disclosed
US-5342834-A Administering testosterone derivatives THE POPULATION COUNCIL, INC. (US) 1994-08-30 — — US disclosed
Send feedback