SCHEMBL27766908

SCHEMBL27766908

C[C@]12CCCCC1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C=O)CC[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.55
GPBAR1 Q8TDU6 3/20 0.50
LMNA P02545 3/20 0.50
EPHA2 P29317 2/20 0.50
HSD17B10 Q99714 2/20 0.50
AKR1B10 O60218 1/20 0.50
AKR1B1 P15121 1/20 0.50
EFNA1 P20827 1/20 0.50
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
SHBG P04278 1/20 0.41

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
SCHEMBL13988200 1.00 CYP19A1 (0.55) CYP19A1GPBAR1LMNAEPHA2HSD17B10
SCHEMBL27803736 1.00 CYP19A1 (0.55) CYP19A1GPBAR1LMNAEPHA2HSD17B10
SCHEMBL9938333 0.85 CYP19A1 (0.51) CYP19A1GPBAR1LMNAEPHA2HSD17B10
SCHEMBL3651590 0.85 CYP19A1 (0.51) CYP19A1GPBAR1LMNAEPHA2HSD17B10
SCHEMBL7278548 0.85 CYP19A1 (0.51) CYP19A1GPBAR1LMNAEPHA2HSD17B10
SCHEMBL29434780 0.84 CYP19A1 (0.50) CYP19A1GPBAR1LMNAEPHA2HSD17B10
SCHEMBL7280829 0.83 CYP19A1 (0.49) CYP19A1GPBAR1LMNAEPHA2HSD17B10
SCHEMBL7287422 0.83 CYP19A1 (0.49) CYP19A1GPBAR1LMNAEPHA2HSD17B10
SCHEMBL28576202 0.83 CYP19A1 (0.49) CYP19A1GPBAR1LMNAEPHA2HSD17B10
SCHEMBL7306651 0.83 CYP19A1 (0.49) CYP19A1GPBAR1LMNAEPHA2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109517019-B Recycling method of 3 beta-acetoxyandrostane-5-alkene-17-ketone addition reaction byproduct 华东师范大学 2021-12-07 CN claimed
CN-109956989-B Recycling method of position isomer in preparation of 3 beta-acetoxyl-5 alpha-chlorine-6 beta-hydroxyandrost-17-one 华东师范大学 2021-11-19 CN claimed
CN-109956989-A The circulation utilization method of position isomer in 3 beta-acetoxyl group-5 α-chloro- 6 beta-hydroxy androstane -17- ketone preparation 华东师范大学 2019-07-02 CN claimed
CN-109517019-A A kind of reuse method of 3 β-Acetoxyandrost -5- alkene -17- ketone addition reaction by-product 华东师范大学 2019-03-26 CN claimed
CN-109438538-A A kind of synthetic method of -17 beta-hydroxy -3- ketone of -17 Alpha-Methyl of Stanozolol intermediate androstane 华中药业股份有限公司 2019-03-08 CN claimed
CN-108586566-A 3 beta-hydroxy -5 α, 8 α-peroxide androstane -6- alkene -17- (aromatic ring substitution) hydazone derivatives and preparation and application 齐齐哈尔医学院 2018-09-28 CN claimed
CN-108276464-A A kind of preparation method of 3 Alpha-hydroxy -5 α, 14 β-androstane -15- alkene -17- ketone 扬州大学 2018-07-13 CN claimed
CN-108084239-A The preparation method of (3 β, 15 α)--14 β of dihydroxy-phenylamino or benzyl amino androstane -17- ketone 扬州大学 2018-05-29 CN claimed
CN-101585862-A Novel steroids UMECRINE AB (SE) 2009-11-25 CN claimed
CN-109517019-B Recycling method of 3 beta-acetoxyandrostane-5-alkene-17-ketone addition reaction byproduct 华东师范大学 2021-12-07 CN disclosed
CN-109956989-B Recycling method of position isomer in preparation of 3 beta-acetoxyl-5 alpha-chlorine-6 beta-hydroxyandrost-17-one 华东师范大学 2021-11-19 CN disclosed
CN-107236016-B A kind of steroidal purine nucleoside analogs of the triazole containing 1,2,3- and its preparation method and application 郑州大学 2019-07-02 CN disclosed
CN-109956989-A The circulation utilization method of position isomer in 3 beta-acetoxyl group-5 α-chloro- 6 beta-hydroxy androstane -17- ketone preparation 华东师范大学 2019-07-02 CN disclosed
CN-109517019-A A kind of reuse method of 3 β-Acetoxyandrost -5- alkene -17- ketone addition reaction by-product 华东师范大学 2019-03-26 CN disclosed
CN-103211821-A Drugs and uses HOLLIS EDEN PHARMACEUTICALS 2013-07-24 CN disclosed
CN-101472579-B Medicine and use HOLLIS EDEN PHARMACEUTICALS 2013-07-03 CN disclosed
CN-101730705-B Process for preparing aromatase inhibitors SCINOPHARM TAIWAN LTD 2012-10-03 CN disclosed
CN-101730705-A Process for preparing aromatase inhibitors SCINOPHARM TAIWAN LTD 2010-06-09 CN disclosed
CN-101585862-A Novel steroids UMECRINE AB (SE) 2009-11-25 CN disclosed
CN-101472579-A Medicine and use HOLLIS EDEN PHARMACEUTICALS (US) 2009-07-01 CN disclosed