SCHEMBL28540577

SCHEMBL28540577

CC(=O)OC1Cc2cccc(C)c2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
DRD2 P14416 4/20 0.39
HTR1A P08908 2/20 0.39
MYC P01106 1/20 0.39
PKM P14618 1/20 0.36
HTR7 P34969 2/20 0.36
HTR2B P41595 1/20 0.36
AOC1 P19801 1/20 0.36
DRD1 P21728 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
ALDH1A1 P00352 2/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL28526989 0.85 POLB (0.45) POLBDRD2PKMHTR7HTR2B
SCHEMBL29439763 0.84 POLB (0.57) POLBDRD2PKMHTR7ALDH1A1
SCHEMBL28528387 0.84 POLB (0.57) POLBDRD2PKMHTR7ALDH1A1
SCHEMBL11490469 0.80 POLB (0.50) POLBDRD2PKMHTR7TSHR
SCHEMBL27943034 0.78 POLB (0.39) POLBPKMHTR2BALDH1A1HPGD
SCHEMBL19302920 0.76 POLB (0.54) POLBPKMALDH1A1EDNRBEDNRA
SCHEMBL15450612 0.76 POLB (0.54) POLBPKMALDH1A1EDNRBEDNRA
SCHEMBL28909799 0.76 POLB (0.41) POLBDRD2HTR7HTR2BDRD1
SCHEMBL29439851 0.76 POLB (0.41) POLBDRD2HTR7HTR2BDRD1
SCHEMBL24303964 0.74 POLB (0.49) POLBPKMAOC1ALDH1A1EDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112441920-B Method for copper photocatalytic synthesis of 9-acetoxyl-9, 10-dihydrophenanthrene compound 浙江工业大学 2022-03-18 CN disclosed
CN-112441921-B Method for synthesizing 9-acetoxyl-9, 10-dihydrophenanthrene compound by virtue of iridium photocatalysis 浙江工业大学 2022-03-18 CN disclosed
CN-112441921-A Method for synthesizing 9-acetoxyl-9, 10-dihydrophenanthrene compound by virtue of iridium photocatalysis 浙江工业大学 2021-03-05 CN disclosed
CN-112441920-A Method for copper photocatalytic synthesis of 9-acetoxyl-9, 10-dihydrophenanthrene compound 浙江工业大学 2021-03-05 CN disclosed