SCHEMBL29034878

SCHEMBL29034878

COc1ccc(OP(=O)(Oc2ccc(OC)cc2)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.73
▸ L3MBTL1 Q9Y468 1/20 0.73
▸ CA4 P22748 7/20 0.59
▸ CA12 O43570 6/20 0.59
▸ CA1 P00915 6/20 0.59
▸ CA2 P00918 6/20 0.59
▸ CA5A P35218 6/20 0.59
▸ CA7 P43166 6/20 0.59
▸ CA9 Q16790 6/20 0.59
▸ CA5B Q9Y2D0 6/20 0.59
▸ PKM P14618 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ HPGD P15428 1/20 0.56
▸ ACP3 P15309 1/20 0.49
▸ LTA4H P09960 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CES2 O00748 1/20 0.46

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
SCHEMBL28101003 0.94 TDP1 (0.70) TDP1L3MBTL1CA4CA12CA1
SCHEMBL29178594 0.90 TDP1 (0.56) TDP1L3MBTL1CA4CA12CA1
SCHEMBL561190 0.85 L3MBTL1 (1.00) TDP1L3MBTL1CA4CA12CA1
SCHEMBL28388309 0.84 PKM (0.59) TDP1L3MBTL1CA4CA12CA1
SCHEMBL779116 0.84 TDP1 (0.73) TDP1L3MBTL1CA4CA12CA1
SCHEMBL8909182 0.83 L3MBTL1 (0.66) TDP1L3MBTL1CA4CA12CA1
SCHEMBL25261924 0.82 L3MBTL1 (0.77) TDP1L3MBTL1CA4CA12CA1
SCHEMBL13397921 0.82 HTT (0.57) TDP1L3MBTL1CA4CA12CA1
SCHEMBL9164159 0.82 TDP1 (0.83) TDP1L3MBTL1CA4CA12CA1
SCHEMBL976099 0.82 L3MBTL1 (0.76) TDP1L3MBTL1CA4CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425794-A Aryl phosphonate compound and preparation method thereof 烟台大学 2023-07-14 — — CN claimed
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