SCHEMBL936065

SCHEMBL936065

C[C@]12CC[C@@H]3c4ccc(OO)cc4CC[C@H]3[C@@H]1CC[C@@H]2O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.83
HSD17B10 Q99714 5/20 0.83
ESR1 P03372 5/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
PGR P06401 2/20 0.77
AR P10275 2/20 0.77
SLC6A3 Q01959 2/20 0.77
ADORA3 P0DMS8 2/20 0.77
ATM Q13315 2/20 0.77
ABCC1 P33527 1/20 0.77
ABCC4 O15439 1/20 0.77
CHRM1 P11229 1/20 0.77
TBXA2R P21731 1/20 0.77
ADRA1A P35348 1/20 0.77
OPRM1 P35372 1/20 0.77
STS P08842 2/20 0.75
KDM4E B2RXH2 1/20 0.75
TSHR P16473 2/20 0.74
ESR2 Q92731 2/20 0.74
CYP2C9 P11712 2/20 0.74

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
SCHEMBL5078078 1.00 LMNA (0.83) LMNAHSD17B10ESR1SMN1; SMN2PGR
SCHEMBL980768 0.92 LMNA (0.85) LMNAHSD17B10ESR1SMN1; SMN2PGR
Estradiol Methyl Ether SCHEMBL9558220 0.91 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2PGR
Estradiol Methyl Ether SCHEMBL547265 0.91 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2PGR
Estradiol Methyl Ether SCHEMBL8998255 0.91 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2PGR
Estradiol Methyl Ether SCHEMBL23645792 0.91 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2PGR
Estradiol Methyl Ether SCHEMBL18686406 0.91 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2PGR
Estradiol Methyl Ether SCHEMBL6464173 0.91 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2PGR
Estradiol Methyl Ether SCHEMBL4750578 0.91 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2PGR
Estradiol Methyl Ether SCHEMBL14499084 0.91 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022082183-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF INFLAMMATORY AND METABOLIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 WO claimed
WO-2022074001-A1 MEANS AND METHODS FOR THE CONVERSION OF ESTRADIOL TO 15ALPHA-HYDROXYESTRADIOL MITHRA RECHERCHE ET DÉVELOPPEMENT SA (BE) 2022-04-14 WO claimed
WO-2008065408-A9 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2011-03-03 WO claimed
WO-2010096830-A2 METHOD TO TREAT PSORIASIS AND OTHER HYPERPROLIFERATIVE SKIN DISORDERS CORNELL UNIVERSITY (US) 2010-08-26 WO claimed
WO-2008147640-A2 HORMONE REPLACEMENT THERAPY UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-12-04 WO claimed
EP-1507514-B1 CONTROLLED RELEASE COMPOSITIONS OF ESTRADIOL METABOLITES PR PHARMACEUTICALS INC (US) 2007-02-14 EP claimed
EP-1594481-A4 MONOUNSATURATED FATTY ACIDS AND PERHYDROCYCLOPENTANOPHENANTHRENE NUCLEUS COMBINATION MOLECULES, AND THEIR PRECURSORS, AND THE USE OF ALL OF THESE AS WEIGHT-LOSS AGENTS GIROUARD MICHAEL P (US) 2006-05-17 EP claimed
EP-1594481-A2 MONOUNSATURATED FATTY ACIDS AND PERHYDROCYCLOPENTANOPHENANTHRENE NUCLEUS COMBINATION MOLECULES, AND THEIR PRECURSORS, AND THE USE OF ALL OF THESE AS WEIGHT-LOSS AGENTS Girouard, Michael P. (US) 2005-11-16 EP claimed
US-20040157816-A1 Monounsaturated fatty acids and perhydrocyclopentanophenanthrene nucleus combination molecules, and their precursors, and the use of all of these as weight-loss agents GIROUARD MICHAEL P (US) 2004-08-12 US claimed
WO-2004045560-A2 COMBINATION OF MONOUNSATURATED FATTY ACIDS AND ESTOGEN, AND THEIR USE GIROUARD MICHAEL P (US) 2004-06-03 WO claimed
JP-2000511404-A 2000-09-05 JP claimed
EP-0954317-A2 USE OF 7 APHA-SUBSTITUTED STEROIDS TO TREAT NEUROPSYCHIATRIC, IMMUNE OR ENDOCRINE DISORDERS BTG INTERNATIONAL LIMITED (GB) 1999-11-10 EP claimed
EP-0874642-A1 SUSTAINED RELEASE DRUG FORMULATIONS DELAB (FR) 1998-11-04 EP claimed
WO-1997037664-A2 USE OF 7 ALPHA-SUBSTITUTED STEROIDS TO TREAT NEUROPSYCHIATRIC, IMMUNE OR ENDOCRINE DISORDERS BRITISH TECHNOLOGY GROUP LTD. (GB) 1997-10-16 WO claimed
WO-1997026015-A1 SUSTAINED RELEASE DRUG FORMULATIONS DELAB (FR) 1997-07-24 WO claimed
US-4427669-A 2-HYDROXY-OR 4-HYDROXYESTRADIOL THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1984-01-24 US claimed
US-4011314-A FOR TREATING ESTROGEN DEFICIENCY SCHERING AKTIENGESELLSCHAFT (DT) 1977-03-08 US claimed
JP-63166898-A None JP disclosed
JP-S6445392-A PRODUCTION OF ESTRADIOL DERIVATIVE TOA NENRYO KOGYO KK 1989-02-17 JP disclosed
JP-S63166898-A SEPARATION AND DETERMINATION OF STEROID TOSOH CORP 1988-07-11 JP disclosed