SCHEMBL868473

SCHEMBL868473

C[C@]12CCC(=O)CC1CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 1.00
AKR1B10 O60218 2/20 1.00
AKR1B1 P15121 2/20 1.00
OR51E2 Q9H255 1/20 1.00
GPBAR1 Q8TDU6 5/20 0.65
SHBG P04278 4/20 0.65
CYP3A4 P08684 4/20 0.65
SERPINA6 P08185 3/20 0.65
NR3C1 P04150 1/20 0.65
PGR P06401 1/20 0.65
NR3C2 P08235 1/20 0.65
AR P10275 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MGAM O43451 1/20 0.65
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
LMNA P02545 3/20 0.64
MAPK1 P28482 2/20 0.64
POLB P06746 1/20 0.64
HSD17B3 P37058 1/20 0.64

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
SCHEMBL891363 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL1114187 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL15369324 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL12394882 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL16305624 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL12377165 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL868472 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL15426613 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL22844489 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL1331733 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114933624-B Artificial synthesis method of natural product (+) -digitonin 大连理工大学 2024-02-20 CN claimed
CN-114933624-A Method for artificially synthesizing natural product (+) -digitoxin aglycone 大连理工大学 2022-08-23 CN claimed
EP-2279195-B1 MEDICINAL APPLICATIONS OF BENZOIC ACID HYDRAZONES SYNTHESIZED ON THE BASIS OF STEROIDAL TIGOGENIN SHELAR ASHOK RANGANATH (IN) 2013-05-15 EP claimed
WO-2011063774-A2 PECTIN COMPLEXES OF STEROIDS AND PHARMACEUTICAL COMPOSITIONS BASED THEREON ZENTIVA, K.S. (CZ) 2011-06-03 WO claimed
EP-1962856-B1 MEDICAMENT BASED ON A MONOESTER OF STEROIDS WITH LONG CHAIN FATTY ACIDS PETRONI ANNA (IT) 2010-10-20 EP claimed
EP-1807062-A4 USE OF ANDROGENS TO REDUCE THE LIKELIHOOD OF ACQUIRING OR TO TREAT SKIN AGING ENDORECH INC (CA) 2009-06-03 EP claimed
EP-1962856-A2 MEDICAMENT BASED ON A MONOESTER OF STEROIDS WITH LONG CHAIN FATTY ACIDS Petroni, Anna (IT) 2008-09-03 EP claimed
EP-1807062-A1 USE OF ANDROGENS TO REDUCE THE LIKELIHOOD OF ACQUIRING OR TO TREAT SKIN AGING Endorecherche Inc. (CA) 2007-07-18 EP claimed
WO-2007068434-A2 MEDICAMENT BASED ON A MONOESTER OF STEROIDS WITH LONG CHAIN FATTY ACIDS PETRONI ANNA (IT) 2007-06-21 WO claimed
WO-2006047859-A1 USE OF ANDROGENS TO REDUCE THE LIKELIHOOD OF ACQUIRING OR TO TREAT SKIN AGING ENDORECHERCHE, INC. (CA) 2006-05-11 WO claimed
EP-0801557-B1 LIPOSOME FORMULATIONS OF 5BETA STEROIDS SUPERGEN INC (US) 2003-07-02 EP claimed
US-6333317-B1 Regulation of amyloid precursor protein (APP) expression by administration of an estrogenic compound MASSACHUSETTES INSTITUTE OF TECHNOLOGY 2001-12-25 US claimed
EP-0269786-B1 Quantitative analysis of 3-oxo-5Beta-Steroid and reagent therefor DAIICHI PURE CHEMICALS CO LTD (JP) 1993-11-03 EP claimed
US-5085989-A Contacting sample with specific dehydrogenase and tetrazolium salt, measuring optical density of colored substance produced; diagnosis of liver disorders DAIICHI PURE CHEMICALS CO., LTD. (JP) 1992-02-04 US claimed
EP-0160434-A1 Manufacture of androstandione Progenics, Inc. (US) 1985-11-06 EP claimed
US-4097334-A Process for the preparation of androstane-3,17-dione derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1978-06-27 US claimed
WO-2024092274-A2 ENDOCYTIC AGENTS BIOVENTURES, LLC (US) 2024-05-02 WO disclosed
CN-114933624-B Artificial synthesis method of natural product (+) -digitonin 大连理工大学 2024-02-20 CN disclosed
US-4097334-A Process for the preparation of androstane-3,17-dione derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4097334-A Process for the preparation of androstane-3,17-dione derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed