SCHEMBL28526989

SCHEMBL28526989

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KIF11 P52732 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
PPIA P62937 4/20 0.36
PKM P14618 1/20 0.35
NOS3 P29474 2/20 0.35
NOS2 P35228 2/20 0.35
DRD2 P14416 1/20 0.35
PIN1 Q13526 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL28540577 0.85 POLB (0.46) POLBTAS1R3TAS1R1TAS1R2PKM
SCHEMBL29439763 0.83 POLB (0.57) POLBPKMDRD2HTR7ALDH1A1
SCHEMBL28528387 0.83 POLB (0.57) POLBPKMDRD2HTR7ALDH1A1
SCHEMBL19899151 0.80 KIF11 (0.39) KIF11NOS3NOS2DRD2HTR7
SCHEMBL11490469 0.79 POLB (0.50) POLBPKMDRD2HTR7
SCHEMBL19302920 0.75 POLB (0.54) POLBPKMALDH1A1HPGD
SCHEMBL15450612 0.75 POLB (0.54) POLBPKMALDH1A1HPGD
SCHEMBL29439851 0.75 POLB (0.41) POLBPPIADRD2HTR7HTR2B
SCHEMBL28909799 0.75 POLB (0.41) POLBPPIADRD2HTR7HTR2B
SCHEMBL28535760 0.73 HTR2A (0.40) PPIANOS3NOS2

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