SCHEMBL28044280

SCHEMBL28044280

O=C(c1ccccc1)c1ccccc1CCO

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
CYP19A1 P11511 1/20 0.49
ALDH1A1 P00352 4/20 0.48
FOLH1 Q04609 1/20 0.47
PTPN1 P18031 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.43
ATM Q13315 2/20 0.43
CDC25B P30305 1/20 0.43
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL28423359 0.90 AKR1C3 (0.59) AKR1C3GAAMAPTCYP19A1ALDH1A1
SCHEMBL1062035 0.89 AKR1C3 (0.50) AKR1C3GAAMAPTCYP19A1ALDH1A1
SCHEMBL25360646 0.89 TSHR (0.46) AKR1C3GAAMAPTCYP19A1ALDH1A1
SCHEMBL7618622 0.88 FOLH1 (0.48) GAAMAPTALDH1A1FOLH1PTPN1
SCHEMBL945386 0.86 AKR1C3 (0.47) AKR1C3GAAMAPTCYP19A1ALDH1A1
SCHEMBL17318743 0.86 AKR1C3 (0.47) AKR1C3GAAMAPTCYP19A1ALDH1A1
SCHEMBL28882596 0.86 AKR1C3 (0.47) AKR1C3GAAMAPTCYP19A1ALDH1A1
SCHEMBL5610138 0.85 AKR1C3 (0.53) AKR1C3GAAMAPTCYP19A1ALDH1A1
SCHEMBL10900340 0.84 ABCB11 (0.55) AKR1C3GAAMAPT
SCHEMBL29898649 0.84 AKR1C3 (0.57) AKR1C3GAAMAPTCYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113443985-B Cerium dioxide nanoparticle-based organic/inorganic hybrid photoresist composition 中国科学院理化技术研究所 2022-09-09 CN claimed
CN-105482085-A Anti-ultraviolet copolyester and preparation method thereof UNIV TSINGHUA 2016-04-13 CN claimed
CN-112321401-B Method for preparing 2-hydroxyethyl phenyl ketone by catalytic oxidation of heterochroman 西安石油大学 2023-04-28 CN disclosed
CN-110662817-B Near-infrared-shielding ultrafine particle dispersion, near-infrared-shielding intermediate film, near-infrared-shielding sandwich structure, and method for producing near-infrared-shielding ultrafine particle dispersion 住友金属矿山株式会社 2023-02-17 CN disclosed
CN-112321402-B Method for preparing 2-hydroxyethyl phenyl ketone by coupling two components 西安石油大学 2022-11-29 CN disclosed
CN-113443985-B Cerium dioxide nanoparticle-based organic/inorganic hybrid photoresist composition 中国科学院理化技术研究所 2022-09-09 CN disclosed
CN-107249871-B Three-dimensional molded article decorative laminated film for vacuum molding, method for producing same, and three-dimensional molded article decorative method 日涂汽车涂料有限公司 2021-07-13 CN disclosed
CN-112321401-A Method for preparing 2-hydroxyethyl phenyl ketone by catalytic oxidation of isochroman 西安石油大学 2021-02-05 CN disclosed
CN-112321402-A Method for preparing 2-hydroxyethyl phenyl ketone by coupling two components 西安石油大学 2021-02-05 CN disclosed
CN-107207682-B Curable resin composition, cured product, and laminate 三菱瓦斯化学株式会社 2020-07-24 CN disclosed
CN-110662817-A Near-infrared-shielding ultrafine particle dispersion, near-infrared-shielding intermediate film, near-infrared-shielding sandwich structure, and method for producing near-infrared-shielding ultrafine particle dispersion 住友金属矿山株式会社 2020-01-07 CN disclosed
CN-107249871-A Vacuum forming three-dimensionally shaped product decoration laminated film, its manufacture method and three-dimensionally shaped product trailing 日涂汽车涂料有限公司 2017-10-13 CN disclosed
CN-107207682-A Curable resin composition, cured product, and laminate 三菱瓦斯化学株式会社 2017-09-26 CN disclosed
CN-105482085-A Anti-ultraviolet copolyester and preparation method thereof UNIV TSINGHUA 2016-04-13 CN disclosed