SCHEMBL4944185

SCHEMBL4944185

C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)C(O)=C[C@]3(C)[C@H]1CC2

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.65
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4220365 0.86 CYP19A1 (0.68) CYP19A1
SCHEMBL4999079 0.85 CYP19A1 (0.61) CYP19A1LMNAMAPT
SCHEMBL9237831 0.84 CYP19A1 (0.63) CYP19A1
SCHEMBL4660527 0.82 CYP19A1 (0.48) CYP19A1LMNAMAPT
SCHEMBL3771706 0.82 CYP19A1 (0.48) CYP19A1LMNAMAPT
SCHEMBL9115387 0.82 CYP19A1 (0.61) CYP19A1
SCHEMBL6509492 0.81 CYP19A1 (0.76) CYP19A1
SCHEMBL9112883 0.81 CYP19A1 (0.60) CYP19A1
SCHEMBL9112919 0.81 CYP19A1 (0.58) CYP19A1
SCHEMBL9115388 0.80 CYP19A1 (0.57) CYP19A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110643667-A Biological dehydrogenation method of methyltestosterone C1,2 site 湖南新合新生物医药有限公司 2020-01-03 CN claimed
JP-54073191-A None JP disclosed
CN-117448292-A 17 beta-hydroxysteroid dehydrogenase mutant and application thereof in preparation of steroid hormone 浙江工业大学 2024-01-26 CN disclosed
CN-113528606-B Method for preparing 17 beta-hydroxysteroid by enzyme catalysis 湖州颐盛生物科技有限公司 2023-05-05 CN disclosed
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 disclosed
CN-109852658-B Method for preparing boldenone by microbial transformation 浙江仙琚制药股份有限公司 2021-08-27 CN disclosed
CN-110643667-A Biological dehydrogenation method of methyltestosterone C1,2 site 湖南新合新生物医药有限公司 2020-01-03 CN disclosed
WO-2016033549-A2 (17-ß)-3-OXOANDROST-4-EN-17-YL TRIDECANOATE COMPOSITIONS AND METHODS OF THEIR PREPARATION AND USE LIPOCINE INC. (US) 2016-03-03 WO disclosed
WO-2016033611-A1 (17-β)-3-OXOANDROST-4-EN-17-YL UNDECANOATE COMPOSITIONS AND METHODS OF THEIR PREPARATION AND USE LIPOCINE INC. (US) 2016-03-03 WO disclosed
US-20080075772-A1 PHARMACEUTICAL COMPOSITIONS HAVING NOVEL SCORING PATTERNS AND METHODS OF USING THOSE COMPOSITIONS ACCU-BREAK TECHNOLOGIES, INC. 2008-03-27 US disclosed
EP-0181442-B1 PROCESS FOR THE PREPARATION OF PREGNANE DERIVATIVE SCHERING AKTIENGESELLSCHAFT (DE) 1989-07-12 EP disclosed
JP-S5473191-A MICROBIOLIGICAL PREPARATION OF ANDROSTANE COMPOUND MITSUBISHI CHEM IND LTD 1979-06-12 JP disclosed
JP-S05473191-A 0001-01-01 JP disclosed