SCHEMBL232796

SCHEMBL232796

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 3/20 1.00
ABCC1 P33527 2/20 1.00
STS P08842 3/20 0.83
KDM4E B2RXH2 1/20 0.83
LMNA P02545 5/20 0.77
HSD17B10 Q99714 5/20 0.77
ESR1 P03372 5/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
PGR P06401 2/20 0.74
AR P10275 2/20 0.74
SLC6A3 Q01959 2/20 0.74
ADORA3 P0DMS8 2/20 0.74
ATM Q13315 2/20 0.74
CHRM1 P11229 1/20 0.74
TBXA2R P21731 1/20 0.74
ADRA1A P35348 1/20 0.74
OPRM1 P35372 1/20 0.74
CYP2C9 P11712 3/20 0.69
SLCO1B1 Q9Y6L6 1/20 0.69
TSHR P16473 2/20 0.69

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
SCHEMBL29392632 1.00 ABCC4 (1.00) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL30471686 1.00 ABCC4 (1.00) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL232797 1.00 ABCC4 (1.00) ABCC4ABCC1STSKDM4ELMNA
E2Mate SCHEMBL5151234 0.91 STS (1.00) ABCC4ABCC1STSKDM4ELMNA
E2Mate SCHEMBL5165269 0.91 STS (1.00) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL2291502 0.91 KDM4E (1.00) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL19121776 0.91 ABCC4 (0.83) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL21033841 0.91 ABCC4 (0.83) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL20634998 0.91 ABCC4 (0.83) ABCC4ABCC1STSKDM4ELMNA
SCHEMBL4966962 0.91 KDM4E (1.00) ABCC4ABCC1STSKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117789993-B Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-06-11 CN claimed
CN-118005192-A Method for improving sewage treatment effect by storing carbon source through diatomite symbiotic particles 重庆大学 2024-05-10 CN claimed
CN-117789993-A Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-03-29 CN claimed
EP-4079308-A1 MASS SPECTROMETRY ASSAY FOR ESTROGENIC COMPOUNDS Quest Diagnostics Investments Incorporated (US) 2022-10-26 EP claimed
US-10837971-B2 Mass spectrometry assay for estrogenic compounds during hormone replacement therapy QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2020-11-17 US claimed
EP-2807482-B1 ANALYSIS OF ESTRADIOL AND ANALYTES WITH PHENOLIC OH USING LABELING CHEMISTRY AND LC-MSMS WORKFLOW DH TECHNOLOGIES DEV PTE LTD (SG) 2018-03-14 EP claimed
US-9874575-B2 Analysis of estradiol and analytes with phenolic OH using labeling chemistry and LC-MSMS workflow DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2018-01-23 US claimed
CN-104040332-B There is phenol system OH estradiol and analyte using mark chemistry and LC MSMS workflow analysis DH科技发展私人贸易有限公司 2017-10-20 CN claimed
US-20160377636-A1 MASS SPECTROMETRY ASSAY FOR ESTROGENIC COMPOUNDS QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2016-12-29 US claimed
EP-2317995-B1 INHBITORS OF MRP4 AND AGENTS STIMULATING MRP4 ACTIVITY FOR THE TREATMENT OF CARDIAC DISORDERS INSERM (INSTITUT NAT DE LA SANTÉ ET DE LA RECH MÉDICALE) (FR) 2016-12-07 EP claimed
WO-2006094028-A1 COMBINAION THERAPY FOR TOPICAL APPLICATION IN THE TREATMENT OF DRY EYE SYNDROME NASCENT PHARMACEUTICALS, INC. (US) 2006-09-08 WO 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-2006053150-A2 PHARMACEUTICAL COMPOSITIONS FOR TOPICAL APPLICATION ON THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND OCULAR HYPERTENSION NASCENT PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
WO-2006048261-A2 ORAL SOLID DOSAGE FORMS CONTAINING A LOW DOSE OF ESTRADIOL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-11 WO claimed
EP-1549292-A2 PHARMACEUTICAL PREPARATIONS, USE OF SAID PREPARATIONS AND METHOD FOR INCREASING THE BIOAVAILABILITY OF MEDICAMENTS FOR PERORAL ADMINISTRATION Schering Aktiengesellschaft (DE) 2005-07-06 EP claimed
US-20040223983-A1 Pharmaceutical preparations, use of these preparations and process for increasing the biovailability of pharmaceutical substances to be administered perorally BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-11-11 US claimed
WO-2004032897-A2 PHARMACEUTICAL PREPARATIONS, USE OF SAID PREPARATIONS AND METHOD FOR INCREASING THE BIOAVAILABILITY OF MEDICAMENTS FOR PERORAL ADMINISTRATION SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-22 WO claimed
CN-1119929-C Pig embryo regulation factor and its preparing process and application XU LIREN (CN) 2003-09-03 CN claimed
EP-0652754-B1 DRUGS FOR TOPICAL APPLICATION OF SEX STEROIDS IN THE TREATMENT OF DRY EYE SYNDROME, AND METHODS OF PREPARATION AND APPLICATION LUBKIN VIRGINIA (US) 2003-03-12 EP claimed
US-5830767-A WICKING CORE AND SHEATH AT POINT BIO (US) 1998-11-03 US claimed