SCHEMBL28834594

SCHEMBL28834594

O=P(Oc1ccccc1)(Oc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ CA12 O43570 3/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA4 P22748 3/20 0.49
▸ CA5A P35218 3/20 0.49
▸ CA7 P43166 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA5B Q9Y2D0 3/20 0.49
▸ SRC P12931 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ PGR P06401 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CFTR P13569 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38

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
SCHEMBL561190 0.80 L3MBTL1 (1.00) L3MBTL1TDP1CA12CA1CA2
SCHEMBL29034881 0.79 TDP1 (0.73) L3MBTL1TDP1CA12CA1CA2
SCHEMBL28100900 0.79 L3MBTL1 (0.73) L3MBTL1TDP1CA12CA1CA2
SCHEMBL8909182 0.79 L3MBTL1 (0.66) L3MBTL1TDP1CA12CA1CA2
SCHEMBL27988575 0.79 TDP1 (0.66) L3MBTL1TDP1CA12CA1CA2
SCHEMBL28101011 0.78 TDP1 (0.55) L3MBTL1TDP1CA12CA1CA2
SCHEMBL28099874 0.78 KMT2A (0.50) L3MBTL1TDP1SRCMAOBKMT2A
SCHEMBL11317531 0.78 L3MBTL1 (0.70) L3MBTL1TDP1CA12CA1CA2
SCHEMBL12230058 0.76 ALDH1A1 (0.40) L3MBTL1CA12CA1CA2CA4
SCHEMBL30642417 0.75 ALDH1A1 (0.42) L3MBTL1TDP1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105968136-B A kind of preparation method of fragrance phosphonate compound 北京大学 2018-12-07 — — CN disclosed
CN-105968136-A Preparation method of aromatic phosphonate compound 北京大学 2016-09-28 — — CN disclosed
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