SCHEMBL5207737

SCHEMBL5207737

COc1cc(OC)cc(OB(O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
CYP1A1 P04798 5/20 0.44
CYP1B1 Q16678 5/20 0.44
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
CYP3A4 P08684 3/20 0.42
ABL1 P00519 3/20 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
SCHEMBL22769689 0.91 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1TUBB4ATUBB
SCHEMBL28080318 0.89 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1TUBB4ATUBB
SCHEMBL30516653 0.89 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1TUBB4ATUBB
SCHEMBL4578633 0.86 ALDH1A1 (0.32) ALDH1A1
Alcohol SCHEMBL28300403 0.82 ALDH1A1 (0.39) ALDH1A1CYP1A1CYP1B1TUBB4ATUBB
SCHEMBL1676924 0.81 ENPP2 (0.59) ALDH1A1CYP1A1CYP1B1CYP3A4ENPP2
SCHEMBL18893670 0.80 CYP1A1 (0.45) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL31189716 0.80 CYP1A1 (0.45) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL351810 0.79 CA1 (0.58) ALDH1A1CYP3A4ENPP2CA1CA2
SCHEMBL28972508 0.78 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702096-A Method for recycling battery negative electrode graphite, regenerated graphite material prepared by method and application of regenerated graphite material 广东邦普循环科技有限公司 2024-09-27 CN claimed
CN-115928264-B Preparation method of continuous silicon carbide fiber containing metal in near-stoichiometric ratio 湖南泽睿新材料有限公司 2024-02-20 CN claimed
CN-114560983-B Flame-retardant self-repairing type water-based polyurethane composite finishing agent and preparation method and application thereof 陕西科技大学 2023-07-04 CN claimed
CN-115974828-B Compounds as protein phosphatase 5 agonists, methods of preparation and uses thereof 中国药科大学 2025-02-11 CN disclosed
CN-119419349-A Composite electrolyte, preparation method thereof, electrolyte film and battery 上海泰睿锂电科技有限公司 2025-02-11 CN disclosed
CN-118702096-A Method for recycling battery negative electrode graphite, regenerated graphite material prepared by method and application of regenerated graphite material 广东邦普循环科技有限公司 2024-09-27 CN disclosed
CN-111902400-B Aromatic derivatives, process for their preparation and their medical use 保仕健生物科技(上海)有限公司 2024-08-30 CN disclosed
CN-113383002-B Mononuclear iridium complex containing three orthometalated bidentate ligands and having optically directional anisotropy UDC爱尔兰有限公司 2024-08-20 CN disclosed
CN-117836274-A Fungicidal substituted heterocyclic compounds FMC公司 2024-04-05 CN disclosed
CN-116813526-A Isoindolinone compound, preparation method and application thereof 四川省医学科学院·四川省人民医院 2023-09-29 CN disclosed
CN-114907249-B Cyclic chain isomerism stilbene fluorescent molecule, preparation method and application 中国科学院福建物质结构研究所 2023-07-21 CN disclosed
CN-114560983-B Flame-retardant self-repairing type water-based polyurethane composite finishing agent and preparation method and application thereof 陕西科技大学 2023-07-04 CN disclosed
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
EP-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed