Estradiol

Estradiol

SCHEMBL547295

CCC(=O)O.C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Estradiol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 6/20 0.83
LMNA P02545 7/20 0.83
MAPT P10636 5/20 0.83
HSD17B10 Q99714 4/20 0.83
KMT2A Q03164 4/20 0.83
SMN1; SMN2 Q16637 4/20 0.83
ESR2 Q92731 3/20 0.83
MEN1 O00255 3/20 0.83
CYP3A4 P08684 3/20 0.83
PGR P06401 3/20 0.83
AR P10275 3/20 0.83
TSHR P16473 2/20 0.83
HIF1A Q16665 2/20 0.83
SLC6A3 Q01959 2/20 0.83
CYP1A2 P05177 1/20 0.83
CYP2C9 P11712 1/20 0.83
CYP2C19 P33261 1/20 0.83
SLC22A1 O15245 1/20 0.83
AKR1B10 O60218 1/20 0.83
SLC22A3 O75751 1/20 0.83

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
Estradiol SCHEMBL348107 1.00 LMNA (0.83) LMNAESR1MAPTHSD17B10KMT2A
Estradiol SCHEMBL28378622 0.99 LMNA (0.81) LMNAESR1MAPTHSD17B10KMT2A
Estradiol SCHEMBL1903738 0.94 LMNA (0.83) LMNAESR1MAPTHSD17B10KMT2A
Estradiol SCHEMBL301392 0.92 ESR1 (0.89) LMNAESR1MAPTHSD17B10KMT2A
Estradiol SCHEMBL8092599 0.92 ESR1 (0.89) LMNAESR1MAPTHSD17B10KMT2A
Estradiol SCHEMBL3223253 0.92 ESR1 (0.89) LMNAESR1MAPTHSD17B10KMT2A
Estradiol SCHEMBL7186616 0.92 ESR1 (0.77) LMNAESR1MAPTHSD17B10KMT2A
Alfatradiol SCHEMBL22092636 0.92 ESR1 (0.77) LMNAESR1MAPTHSD17B10KMT2A
Estradiol SCHEMBL7638916 0.92 ESR1 (0.77) LMNAESR1MAPTHSD17B10KMT2A
Estradiol SCHEMBL40565 0.92 ESR1 (0.77) LMNAESR1MAPTHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180171288-A1 METHODS OF TREATING CANCER UNIVERSITY OF ROCHESTER 2018-06-21 US claimed
EP-1406633-B1 ENHANCED DRUG DELIVERY IN TRANSDERMAL SYSTEMS NOVEN PHARMA (US) 2011-10-05 EP claimed
US-20110097405-A1 ESTRADIOL-CONTAINING DRUG DELIVERY SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-28 US claimed
US-7846916-B2 Enhanced drug delivery in transdermal systems Noven Pharamaceticals, Inc. (US) 2010-12-07 US claimed
EP-2249803-A2 ESTRADIOL-CONTAINING DRUG DELIVERY SYSTEM Bayer Schering Pharma Aktiengesellschaft (DE) 2010-11-17 EP claimed
WO-2009101021-A2 ESTRADIOL-CONTAINING DRUG DELIVERY SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-20 WO claimed
EP-1814526-A2 ORAL SOLID DOSAGE FORMS CONTAINING A LOW DOSE OF ESTRADIOL Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-08 EP claimed
US-20060111334-A1 Oral solid dosage forms containing a low dose of estradiol BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-25 US claimed
WO-2006048261-A2 ORAL SOLID DOSAGE FORMS CONTAINING A LOW DOSE OF ESTRADIOL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-11 WO claimed
US-20040043943-A1 Method for the management of incontinence ALZA CORPORATION 2004-03-04 US claimed
US-5200197-A Contraceptive pill ALZA CORPORATION (US) 1993-04-06 US claimed
EP-0256668-B1 METHOD FOR TREATING MALE SEXUAL DYSFUNCTION UNIVERSITY OF FLORIDA (US) 1992-11-04 EP claimed
EP-0500793-A1 OSMOTIC, ORAL DOSAGE FORM FOR FERTILITY CONTROL. ALZA CORP (US) 1992-09-02 EP claimed
US-5098714-A OSMOTIC, ORAL DOSAGE FORM FOR FERTILITY CONTROL ALZA CORPORATION (US) 1992-03-24 US claimed
WO-1991007173-A1 OSMOTIC, ORAL DOSAGE FORM FOR FERTILITY CONTROL ALZA CORPORATION (US) 1991-05-30 WO claimed
US-4948593-A SUSTAINED AND CONTROLLED CONTRACEPTION ALZA CORPORATION (US) 1990-08-14 US claimed
US-4863911-A Method for treating male sexual dysfunction UNIVERSITY OF FLORIDA (US) 1989-09-05 US claimed
EP-0256668-A2 Method for treating male sexual dysfunction UNIVERSITY OF FLORIDA (US) 1988-02-24 EP claimed
EP-0220844-A2 Use of estrogen-dihydropyridine compounds for weight control UNIVERSITY OF FLORIDA (US) 1987-05-06 EP claimed
US-4617298-A STEROIDS UNIVERSITY OF FLORIDA (US) 1986-10-14 US claimed