SCHEMBL1154786

SCHEMBL1154786

C[C@@H](O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA2A P08913 5/20 0.47
ADRA2B P18089 5/20 0.47
ADRA2C P18825 5/20 0.47
ADRA1A P35348 4/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1B P35368 3/20 0.47
KMT2A Q03164 1/20 0.45

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
SCHEMBL31087888 1.00 CYP1A2 (0.56) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
SCHEMBL30270396 1.00 CYP1A2 (0.56) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
SCHEMBL1155486 1.00 CYP1A2 (0.56) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
SCHEMBL12200321 1.00 CYP1A2 (0.56) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
SCHEMBL110315 1.00 CYP1A2 (0.56) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
Acetic Acid SCHEMBL7515736 0.90 ALDH1A1 (0.47) CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL6055103 0.88 HPRT1 (0.54) CYP1A2ALDH1A1CYP2C9CYP2C19
Tetrahydrofuran SCHEMBL971565 0.86 CYP1A2 (0.43) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
SCHEMBL5191146 0.86 SLC6A4 (0.45) CYP1A2ALDH1A1CYP2C9CYP2C19ADRA2A
SCHEMBL19667842 0.85 CYP1A2 (0.46) CYP1A2ALDH1A1CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574323-B Preparation method of R-1- (naphthalene-1-yl) ethanol 中山奕安泰医药科技有限公司 2023-03-28 CN claimed
CN-109180496-B Method for synthesizing cinacalcet by using chemical-enzymatic method 浙江大学 2021-02-09 CN claimed
CN-111574323-A Preparation method of R-1- (naphthalene-1-yl) ethanol 中山奕安泰医药科技有限公司 2020-08-25 CN claimed
JP-8225466-A None JP disclosed
CN-111574323-B Preparation method of R-1- (naphthalene-1-yl) ethanol 中山奕安泰医药科技有限公司 2023-03-28 CN disclosed
CN-111574323-B Preparation method of R-1- (naphthalene-1-yl) ethanol 中山奕安泰医药科技有限公司 2023-03-28 CN disclosed
CN-111574323-B Preparation method of R-1- (naphthalene-1-yl) ethanol 中山奕安泰医药科技有限公司 2023-03-28 CN disclosed
CN-109180496-B Method for synthesizing cinacalcet by using chemical-enzymatic method 浙江大学 2021-02-09 CN disclosed
CN-111574323-A Preparation method of R-1- (naphthalene-1-yl) ethanol 中山奕安泰医药科技有限公司 2020-08-25 CN disclosed
CN-111574323-A Preparation method of R-1- (naphthalene-1-yl) ethanol 中山奕安泰医药科技有限公司 2020-08-25 CN disclosed
CN-111574323-A Preparation method of R-1- (naphthalene-1-yl) ethanol 中山奕安泰医药科技有限公司 2020-08-25 CN disclosed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO disclosed
EP-0901997-A1 Process for producing optically active alcohol compound Takasago International Corporation (JP) 1999-03-17 EP disclosed
US-5763688-A HYDROGENATING A CARBONYL COMPOUND, RUTHENIUM-PHOSPHINE COMPLEX CATALYST, BASE, DIAMINE RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1998-06-09 US disclosed
JP-H08225466-A PRODUCTION OF OPTICALLY ACTIVE ALCOHOL RES DEV CORP OF JAPAN 1996-09-03 JP disclosed
EP-0718265-A2 Method for producing an alcohol RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1996-06-26 EP disclosed
EP-0398288-B1 Process for preparing optically active 2-arylalkanoic acids, in particular 2-arylpropionic acids PUETTER MEDICE CHEM PHARM (DE) 1995-10-18 EP disclosed
US-5096971-A Acrylic graft copolymer MITSUBISHI KASEI CORPORATION (JP) 1992-03-17 US disclosed
EP-0398288-A2 Process for preparing optically active 2-arylalkanoic acids, in particular 2-arylpropionic acids MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1990-11-22 EP disclosed
EP-0366042-A2 Adsorbent for optical resolution and resolution method employing it MITSUBISHI KASEI CORPORATION (JP) 1990-05-02 EP disclosed