SCHEMBL84794

SCHEMBL84794

COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MMP2 P08253 3/20 0.46
ANPEP P15144 3/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 1/20 0.41
PTPN1 P18031 1/20 0.41
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
HTRA1 Q92743 1/20 0.38
P2RX3 P56373 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL28027805 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL1257236 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL475537 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL85067 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL1412106 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL5408514 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL85695 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL3789795 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL611185 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL3188827 0.90 CYP1A2 (0.52) CYP3A4CYP1A2POLBCYP2C19ALDH1A1

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 1637 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874590-A Preparation method of drug intermediate difluoro methyl ether proline derivative without heavy metal participation 安庆融创生物科技有限公司 2025-04-25 CN claimed
CN-119505138-A Chiral covalent organic framework mimic enzyme catalyst and preparation method and application thereof 浙江工业大学 2025-02-25 CN claimed
CN-117399071-A Chiral bifunctional catalyst UiO-67-Pro-Ru and preparation method and application thereof 东南大学 2024-01-16 CN claimed
CN-115286559-B Preparation method of key intermediate of anti-new crown drug Pa Luo Weide 上海再启生物技术有限公司 2023-11-17 CN claimed
CN-116199894-A Inner-winding chiral polymer and preparation method and application thereof 中山大学 2023-06-02 CN claimed
CN-116063215-A Synthesis method of 4-amino-L-proline 南京安淮创新药物研究院有限公司 2023-05-05 CN claimed
CN-115806518-A Synthesis method of N-Boc-4-oxo-proline methyl ester 南京安伦化工科技有限公司 2023-03-17 CN claimed
CN-115286559-A Preparation method of anti-new crown drug Parovirid key intermediate 上海再启生物技术有限公司 2022-11-04 CN claimed
CN-105175491-A Hydroxyproline skeleton-containing polypeptide NS3 serine protease inhibitor, preparation method and applications thereof UNIV SHANDONG 2015-12-23 CN claimed
CN-104844495-A Synthesis method of (2S,4S)-4-thiophenyl-L-proline hydrochloride UNIV WUHAN TECH 2015-08-19 CN claimed
CN-103396351-A Pyrrolidone Bc1-2 protein small-molecule inhibitor compound, and preparation, pharmaceutical composition and pharmaceutical use thereof UNIV SHANDONG 2013-11-20 CN claimed
EP-4746963-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
EP-4743465-A1 BICYCLIC MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
EP-4743459-A1 BICYCLIC AND MONOCYCLIC TRPA1 INHIBITORS D.E. Shaw Research, LLC (US) 2026-05-20 EP disclosed
EP-0367130-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-09 EP disclosed
US-4916152-A THROMBOXANE A2 ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-04-10 US disclosed
US-4822787-A 3-pyrrolidinylthio-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid compounds and antimicrobial activity thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0289911-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-09 EP disclosed
EP-0272456-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-29 EP disclosed