SCHEMBL223170

SCHEMBL223170

C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 10/20 0.80
CYP19A1 P11511 9/20 0.80
HSD17B1 P14061 4/20 0.66
LMNA P02545 2/20 0.66
ESR1 P03372 2/20 0.66
MAPT P10636 2/20 0.66
ESR2 Q92731 2/20 0.66
AKR1B10 O60218 1/20 0.66
SHBG P04278 1/20 0.66
CYP1A2 P05177 1/20 0.66
PGR P06401 1/20 0.66
SERPINA6 P08185 1/20 0.66
CYP3A4 P08684 1/20 0.66
AR P10275 1/20 0.66
AKR1B1 P15121 1/20 0.66
NFKB1 P19838 1/20 0.66
SLC6A4 P31645 1/20 0.66
OPRM1 P35372 1/20 0.66
SNCA P37840 1/20 0.66
HTR2B P41595 1/20 0.66

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
SCHEMBL13123039 1.00 STS (0.80) STSCYP19A1HSD17B1LMNAESR1
Sulfuric Acid SCHEMBL21408951 0.95 STS (0.74) STSCYP19A1HSD17B1LMNAESR1
SCHEMBL978711 0.90 STS (0.77) STSCYP19A1HSD17B1LMNAESR1
SCHEMBL13930486 0.89 STS (1.00) STSCYP19A1HSD17B1LMNAESR1
SCHEMBL10889130 0.89 CYP19A1 (1.00) STSCYP19A1HSD17B1LMNAESR1
SCHEMBL14048663 0.89 STS (0.75) STSCYP19A1HSD17B1LMNAESR1
SCHEMBL2929474 0.89 STS (1.00) STSCYP19A1HSD17B1LMNAESR1
SCHEMBL1705295 0.89 STS (0.75) STSCYP19A1HSD17B1LMNAESR1
SCHEMBL10783004 0.89 STS (0.75) STSCYP19A1HSD17B1LMNAESR1
SCHEMBL13930484 0.89 STS (0.75) STSCYP19A1HSD17B1LMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024259428-A2 ESTROGENIC COMPOUNDS AND FORMULATIONS FOR GESTATION-RELATED COMPLICATIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-12-19 WO claimed
CN-118858479-A Kit for simultaneously detecting 90 steroid hormones and metabolites thereof in urine sample, detection method and sample pretreatment method 中国疾病预防控制中心环境与健康相关产品安全所 2024-10-29 CN claimed
CN-118425368-A High performance liquid chromatography tandem mass spectrometry detection method for 6 estrogens and metabolites thereof in human urine 海南一龄医疗产业发展有限公司 2024-08-02 CN claimed
US-20240093191-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2024-03-21 US claimed
EP-4288539-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION Research Institute at Nationwide Children's Hospital (US) 2023-12-13 EP claimed
WO-2023234790-A1 APPLICATION OF HYDROGEN PEROXIDE AND 17β-ESTRADIOL AND ITS METABOLITES AS BIOMARKERS IN A METHOD OF DIAGNOSING NEURODEGENERATIVE DISEASES IN VITRO GDANSKI UNIWERSYTET MEDYCZNY (PL) 2023-12-07 WO claimed
CN-116286890-A Three-component oxidation system and application thereof in degradation of 4-hydroxy estrone 安徽大学 2023-06-23 CN claimed
WO-2022169922-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2022-08-11 WO claimed
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
CN-113552264-A High performance liquid chromatography tandem mass spectrometry detection method for 6 estrogens and metabolites thereof in human urine 海南一龄医疗产业发展有限公司 2021-10-26 CN claimed
WO-2003013536-A9 METHODS FOR TREATMENT OF CANCER USING IRINOTECAN BASED ON UGT1A1 EPIDAUROS BIOTECHNOLOGIE AG (DE) 2004-04-29 WO claimed
EP-1408974-A2 METHODS FOR TREATMENT OF CANCER USING IRINOTECAN BASED ON UGT1A1 Epidauros Biotechnologie AG (DE) 2004-04-21 EP claimed
US-20030099960-A1 Administration of epirubicin for use in the treatment of cancer; obtain sample, incubate with antitumor agent, monitor adjustment in glucoronyltransferase activity, evaluate effectiveness antitumor agent THE UNIVERSITY OF CHICAGO 2003-05-29 US claimed
WO-2003013536-A2 METHODS FOR TREATMENT OF CANCER USING IRINOTECAN BASED ON UGT1A1 EPIDAUROS BIOTECHNOLOGIE AG (DE) 2003-02-20 WO claimed
WO-2002059375-A9 DETERMINATION OF UGT2B7 GENE POLYMORPHISMS FOR PREDICTING UGT2B7 SUBSTRATE TOXICITY AND FOR OPTIMISING DRUG DOSAGE UNIV CHICAGO (US) 2002-10-31 WO claimed
WO-2002059375-A2 DETERMINATION OF UGT2B7 GENE POLYMORPHISMS FOR PREDICTING UGT2B7 SUBSTRATE TOXICITY AND FOR OPTIMISING DRUG DOSAGE UNIVERSITY OF CHICAGO (US) 2002-08-01 WO claimed
EP-0409176-B1 Method and materials for detecting pathology from alterations in estrogen metabolism UNIV ROCKEFELLER (US) 1999-04-28 EP claimed
EP-0866969-A1 METHOD OF CANCER DETECTION IMMUNA CARE CORPORATION (US) 1998-09-30 EP claimed
WO-1997011374-A1 METHOD OF CANCER DETECTION IMMUNA CARE CORPORATION (US) 1997-03-27 WO claimed
EP-0409176-A2 Method and materials for detecting pathology from alterations in estrogen metabolism THE ROCKEFELLER UNIVERSITY (US) 1991-01-23 EP claimed