SCHEMBL547898

SCHEMBL547898

CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.79
LMNA P02545 9/20 0.79
MAPT P10636 6/20 0.79
TSHR P16473 5/20 0.79
NR3C1 P04150 4/20 0.79
PGR P06401 4/20 0.79
AR P10275 4/20 0.79
NR1I2 O75469 3/20 0.79
CYP2C9 P11712 3/20 0.79
CYP2C19 P33261 2/20 0.79
CYP17A1 P05093 1/20 0.79
OPRK1 P41145 1/20 0.79
CYP19A1 P11511 3/20 0.77
ALDH1A1 P00352 6/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
MAPK1 P28482 4/20 0.71
SHBG P04278 4/20 0.71
SERPINA6 P08185 4/20 0.71
GPBAR1 Q8TDU6 3/20 0.71
SIGMAR1 Q99720 3/20 0.71

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
SCHEMBL4617560 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL7996078 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL4617563 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL2082800 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL18438757 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL15369348 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL2600420 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
Propionic Acid SCHEMBL26659955 0.94 CYP3A4 (0.80) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL8814296 0.92 CYP3A4 (0.80) CYP3A4LMNAMAPTTSHRNR3C1
Butyric Acid SCHEMBL26659976 0.91 CYP3A4 (0.73) CYP3A4LMNAMAPTTSHRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122063219-A Method for simultaneously measuring 31 stimulant substances in complex matrix cosmetics 国家体育总局反兴奋剂中心(中国反兴奋剂中心) 2026-05-19 CN claimed
CN-119165068-A Construction of lymphoma early diagnosis model based on peripheral blood metabonomics by utilizing neural network and application 中国医科大学附属盛京医院 2024-12-20 CN claimed
CN-118108782-A Preparation method of mesotrione intermediate 潘高峰 2024-05-31 CN claimed
CN-110618225-B Method for constructing database to detect hormone 吉林出入境检验检疫局检验检疫技术中心 2021-11-26 CN claimed
CN-108796021-B Engineering bacterium and application thereof in preparing testosterone 沈阳博泰生物制药有限公司 2021-03-19 CN claimed
CN-110618225-A Method for constructing database to detect hormone 吉林出入境检验检疫局检验检疫技术中心 2019-12-27 CN claimed
US-9827407-B2 Applicator system for applying a viscous liquid to the human skin FERRING B.V. (NL) 2017-11-28 US claimed
US-9616072-B2 Reduction of side effects from aromatase inhibitors used for treating breast cancer CHAVAH PTY LTD. (AU) 2017-04-11 US claimed
US-9452174-B2 Oral transmucosal pharmaceutical compositions including testosterone and a C-SERM PROFESSIONAL COMPOUNDING CENTERS OF AMERICA (US) 2016-09-27 US claimed
US-20160129015-A1 Reduction of Side Effects from Aromatase Inhibitors Used for Treating Breast Cancer Havah Therapeutics Pty Ltd. (AU) 2016-05-12 US claimed
US-20030062042-A1 Aerosol generating method and device ALEXZA PHARMACEUTICALS, INC. 2003-04-03 US claimed
US-20030051728-A1 Method and device for delivering a physiologically active compound ALEXZA PHARMACEUTICALS, INC. 2003-03-20 US claimed
EP-0981327-B1 INTRAVAGINAL DRUG DELIVERY DEVICES FOR THE ADMINISTRATION OF TESTOSTERONE AND TESTOSTERONE PRECURSORS GALEN CHEMICALS LTD (IE) 2002-11-06 EP claimed
US-6469016-B1 VAGINAL, VULVAR AND/OR URETHRAL ADMINISTRATION OF A PHARMACEUTICAL FORMULATION CONTAINING A VASOACTIVE AGENT TO INCREASE VAGINAL LUBRICATION VIVUS, INC. 2002-10-22 US claimed
CN-1367698-A Administration of non-oral androgenic steroids to women WATSON PHARMACEUTICALS INC (US) 2002-09-04 CN claimed
US-6416780-B1 Intravaginal drug delivery devices for the administration of testosterone and testosterone precursors GALEN (CHEMICALS) LIMITED (IE) 2002-07-09 US claimed
EP-1189619-A1 ADMINISTRATION OF NON-ORAL ANDROGENIC STEROIDS TO WOMEN Watson Pharmaceuticals, Inc. (US) 2002-03-27 EP claimed
WO-2000076522-A1 ADMINISTRATION OF NON-ORAL ANDROGENIC STEROIDS TO WOMEN WATSON PHARMACEUTICALS, INC. (US) 2000-12-21 WO claimed
US-6099864-A In situ activation of microcapsules THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2000-08-08 US claimed
WO-1999059554-A1 IN SITU ACTIVATION OF MICROCAPSULES NASA/JOHNSON SPACE CENTER (US) 1999-11-25 WO claimed