Bolasterone

Bolasterone

SCHEMBL4945157

CC1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CCC3(C)O)[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 1.00
ALDH1A1 P00352 2/20 0.78
CYP19A1 P11511 1/20 0.70
NR3C1 P04150 2/20 0.65
PGR P06401 2/20 0.65
ADRA1A P35348 2/20 0.65
HTR2B P41595 2/20 0.65
AR P10275 8/20 0.62
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
HIF1A Q16665 1/20 0.50
ABCB11 O95342 1/20 0.50
ESR1 P03372 1/20 0.50
CHRM2 P08172 1/20 0.50
ABCB1 P08183 1/20 0.50
NR3C2 P08235 1/20 0.50
CYP2C19 P33261 1/20 0.50
OPRK1 P41145 1/20 0.50
ESR2 Q92731 1/20 0.50
SLC47A1 Q96FL8 1/20 0.50

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
Bolasterone SCHEMBL10904938 1.00 SHBG (1.00) SHBGALDH1A1CYP19A1NR3C1PGR
Bolasterone SCHEMBL145066 1.00 SHBG (1.00) SHBGALDH1A1CYP19A1NR3C1PGR
Bolasterone SCHEMBL5656551 1.00 SHBG (1.00) SHBGALDH1A1CYP19A1NR3C1PGR
Calusterone SCHEMBL4509 1.00 SHBG (1.00) SHBGALDH1A1CYP19A1NR3C1PGR
Bolasterone SCHEMBL11876760 1.00 SHBG (1.00) SHBGALDH1A1CYP19A1NR3C1PGR
SCHEMBL8340651 0.90 SHBG (0.82) SHBGALDH1A1CYP19A1NR3C1PGR
SCHEMBL8340653 0.90 SHBG (0.82) SHBGALDH1A1CYP19A1NR3C1PGR
Calusterone SCHEMBL5323303 0.87 SHBG (0.76) SHBGALDH1A1CYP19A1NR3C1PGR
SCHEMBL5700143 0.86 SHBG (0.76) SHBGALDH1A1CYP19A1NR3C1PGR
SCHEMBL5700149 0.86 SHBG (0.76) SHBGALDH1A1CYP19A1NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4617299-A ADMINISTERING SELECTED ANABOLIC ANDROGENIC COMPOUNDS KNEPPER PAUL A (US) 1986-10-14 US claimed
US-20210346385-A1 TASTE-MASKED DOSAGE FORMS DEEP OCEAN CAPITAL MANAGEMENT LP 2021-11-11 US disclosed
US-20150152348-A1 SYSTEMS AND METHODS FOR COLLECTING, TRANSPORTING AND REPURPOSING OR DESTROYING UNUSED PHARMACEUTICALS SHARPS COMPLIANCE, INC. OF TEXAS 2015-06-04 US disclosed
US-20080207601-A1 Methods of and Compositions For the Prevention of Anxiety, Substance Abuse, and Dependence HYTHIAM , INC. (US) 2008-08-28 US disclosed
US-20080075772-A1 PHARMACEUTICAL COMPOSITIONS HAVING NOVEL SCORING PATTERNS AND METHODS OF USING THOSE COMPOSITIONS ACCU-BREAK TECHNOLOGIES, INC. 2008-03-27 US disclosed
EP-1868593-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE Hythiam, Inc. (US) 2007-12-26 EP disclosed
WO-2006110642-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE HYTHIAM, INC. (US) 2006-10-19 WO disclosed
US-5389624-A Antiandrogenic [3,2-c]pyrazole and [3,2-d]triazole steroids SCHERING AKTIENGESELLSCHAFT (DE) 1995-02-14 US disclosed
US-5236912-A Treating prostate hyperplasia and carcinoma SCHERING AKTIENGESELLSCHAFT (DE) 1993-08-17 US disclosed
WO-1993013122-A1 3-METHYLSULPHONYLHYDRAZONO AND 3-OXYIMINO STEROIDS, A METHOD OF PREPARING THEM, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE IN THE PREPARATION OF DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed
EP-0538312-A1 Anti-androgenic [3,2-d]triazole steroids SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-28 EP disclosed
WO-1992000992-A1 ANTI-ANDROGENIC [3,2-c]PYRAZOLE AND [3,2-d]TRIAZOLE STEROIDS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1992-01-23 WO disclosed
EP-0199768-A4 A METHOD FOR THE PREVENTION OF OCULAR HYPERTENSION, TREATMENT OF GLAUCOMA AND TREATMENT OF OCULAR HYPERTENSION. KNEPPER PAUL A 1989-04-26 EP disclosed
EP-0199768-A1 A METHOD FOR THE PREVENTION OF OCULAR HYPERTENSION, TREATMENT OF GLAUCOMA AND TREATMENT OF OCULAR HYPERTENSION KNEPPER, Paul A. (US) 1986-11-05 EP disclosed
US-4617299-A ADMINISTERING SELECTED ANABOLIC ANDROGENIC COMPOUNDS KNEPPER PAUL A (US) 1986-10-14 US disclosed
WO-1986002554-A1 A METHOD FOR THE PREVENTION OF OCULAR HYPERTENSION, TREATMENT OF GLAUCOMA AND TREATMENT OF OCULAR HYPERTENSION KNEPPER PAUL A 1986-05-09 WO disclosed
US-4100027-A Process for the preparation of 4-androstene-3,17-dione derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1978-07-11 US disclosed
US-3937827-A DIMETHYLTESTOESTORONE THE UPJOHN COMPANY (US) 1976-02-10 US disclosed