SCHEMBL1421773

SCHEMBL1421773

C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 1.00
NR3C1 P04150 1/20 0.53

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
SCHEMBL10625133 1.00 CYP19A1 (1.00) CYP19A1NR3C1
SCHEMBL14284877 1.00 CYP19A1 (1.00) CYP19A1NR3C1
SCHEMBL8999926 0.85 CYP19A1 (0.74) CYP19A1NR3C1
SCHEMBL8999928 0.85 CYP19A1 (0.74) CYP19A1NR3C1
SCHEMBL10625100 0.83 CYP19A1 (0.71) CYP19A1NR3C1
SCHEMBL10625095 0.83 CYP19A1 (0.71) CYP19A1NR3C1
SCHEMBL8999950 0.82 CYP19A1 (0.70) CYP19A1
SCHEMBL9521283 0.82 CYP19A1 (0.69) CYP19A1NR3C1
SCHEMBL9521280 0.82 CYP19A1 (0.69) CYP19A1NR3C1
SCHEMBL11488618 0.82 CYP19A1 (0.69) CYP19A1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117757712-A Genetically engineered bacterium and application thereof 湖南新合新生物医药有限公司 2024-03-26 CN claimed
CN-115725522-A Steroid hormone dehydrogenase, gene, mutant, construction method and application 湖南新合新生物医药有限公司 2023-03-03 CN claimed
CN-112852767-B Carbonyl reductase mutant and application thereof in catalytic synthesis of 17 beta-hydroxy steroid compound 中国科学院天津工业生物技术研究所 2022-04-05 CN claimed
CN-113105517-B Synthesis method of androstane-1, 4, 9-triene-3, 17-diketone 台州仙琚药业有限公司 2022-03-01 CN claimed
CN-109306342-B 17 beta-hydroxy steroid dehydrogenase, gene and application thereof 中国科学院天津工业生物技术研究所 2021-12-10 CN claimed
CN-113528474-B 3-sterone-delta1Dehydrogenase and coding gene and application thereof 中国科学院天津工业生物技术研究所 2021-12-10 CN claimed
CN-111349677-B Biocatalysis preparation method of steroid C1, 2-position dehydrogenation drug intermediate 中国科学院天津工业生物技术研究所 2021-11-12 CN claimed
CN-113528474-A 3-sterone-delta1Dehydrogenase and coding gene and application thereof 中国科学院天津工业生物技术研究所 2021-10-22 CN claimed
CN-113528606-A Method for preparing 17 beta-hydroxysteroid through enzyme catalysis 湖州颐盛生物科技有限公司 2021-10-22 CN claimed
CN-112852767-A Carbonyl reductase mutant and application thereof in catalytic synthesis of 17 beta-hydroxy steroid compound 中国科学院天津工业生物技术研究所 2021-05-28 CN claimed
CN-111349677-A Biocatalysis preparation method of steroid C1, 2-position dehydrogenation drug intermediate 中国科学院天津工业生物技术研究所 2020-06-30 CN claimed
US-RE33364-E Non-aromatic oxygenated strong acid dehydration of 9α-hydroxyandrostenediones THE UPJOHN COMPANY (US) 1990-10-02 US claimed
US-4749649-A Microbial Δ1-dehydrogenation process using a scavenger of toxic oxygen THE UPJOHN COMPANY (US) 1988-06-07 US claimed
EP-0127294-B1 STEROID DEHYDROGENATION THE UPJOHN COMPANY (US) 1986-12-17 EP claimed
EP-0127294-A1 Steroid dehydrogenation THE UPJOHN COMPANY (US) 1984-12-05 EP claimed
US-4127596-A Non-aromatic oxygenated strong acid dehydration of 9α-hydroxyandrostenediones THE UPJOHN COMPANY (US) 1978-11-28 US claimed
US-4102907-A Desulfinylation process for preparing androsta-4,9(11)-diene-3,17-dione THE UPJOHN COMPANY (US) 1978-07-25 US claimed
JP-57139099-A None JP disclosed
US-4102907-A Desulfinylation process for preparing androsta-4,9(11)-diene-3,17-dione THE UPJOHN COMPANY (US) 1978-07-25 US disclosed
US-3966713-A 11β-FLUOROANDROSTENES SCHERING AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed