SCHEMBL28534883

SCHEMBL28534883

CC(=O)OC1Cc2cc(Cl)ccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HSP90AA1 P07900 1/20 0.39
CACNA1S Q13698 1/20 0.39
HRH1 P35367 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
HSD17B3 P37058 2/20 0.36
CHRM1 P11229 1/20 0.36
METAP1 P53582 1/20 0.36
AR P10275 1/20 0.36
CYP11B2 P19099 1/20 0.36
KIF11 P52732 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29439851 0.87 POLB (0.41) POLBHSP90AA1ALDH1A1HPGDHSD17B3
SCHEMBL28909799 0.87 POLB (0.41) POLBHSP90AA1ALDH1A1HPGDHSD17B3
SCHEMBL28528387 0.84 POLB (0.57) POLBALDH1A1HPGD
SCHEMBL29439763 0.84 POLB (0.57) POLBALDH1A1HPGD
SCHEMBL6272303 0.75 AR (0.39) POLBARCYP11B2KIF11
SCHEMBL11490469 0.75 POLB (0.50) POLB
SCHEMBL19302920 0.74 POLB (0.54) POLBALDH1A1HPGDAREDNRB
SCHEMBL15450612 0.74 POLB (0.54) POLBALDH1A1HPGDAREDNRB
SCHEMBL28540577 0.73 POLB (0.46) POLBALDH1A1HPGDEDNRBEDNRA
SCHEMBL19899024 0.72 NOTUM (0.39) CHRM1METAP1

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