SCHEMBL28415907

SCHEMBL28415907

C=C(OP(=O)(OCC)c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 4/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 5/20 0.40

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
SCHEMBL28935780 0.77 CES2 (0.49) CA1CA2KMT2AMEN1CES2
SCHEMBL7518374 0.75 POLB (0.41) CA12CA1CA2CA4CA5A
SCHEMBL1306136 0.75 MMP9 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL27564037 0.73 MEN1 (0.48) CA12CA1CA2CA4CA5A
SCHEMBL24371342 0.73 MEN1 (0.49) CA12CA1CA2CA4CA5A
SCHEMBL28169668 0.73 MEN1 (0.56) CA12CA1CA2CA4CA5A
SCHEMBL358474 0.73 MEN1 (0.59) CA12CA1CA2CA4CA5A
SCHEMBL11614997 0.72 KMT2A (0.56) CA12CA1CA2CA4CA5A
SCHEMBL18261810 0.71 MEN1 (0.54) CA12CA1CA2CA4CA5A
Phosphoric Acid SCHEMBL28091785 0.71 MEN1 (0.58) CA12CA1CA2CA4CA5A

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-110903318-B Preparation method of alkenyl phosphonate compound 西北民族大学 2023-02-28 CN disclosed
CN-110903318-A Preparation method of alkenyl phosphonate compound 西北民族大学 2020-03-24 CN disclosed