SCHEMBL28030369

SCHEMBL28030369

C=C(c1ccc(CN)cc1)P(=O)(OC)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.51
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
F10 P00742 1/20 0.44
ST14 Q9Y5Y6 2/20 0.38
ABAT P80404 1/20 0.36
KLKB1 P03952 3/20 0.35
PLAU P00749 2/20 0.35
PRSS1 P07477 2/20 0.35
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
PSIP1 O75475 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL28029982 0.78 RAB9A (0.42) KDM4ESMN1; SMN2MAOB
SCHEMBL9301191 0.77 MEN1 (0.43) HDAC3MAOB
SCHEMBL28119898 0.77 MAPT (0.52) F10PRSS1SMN1; SMN2PRSS2PRSS3
SCHEMBL9300378 0.76 LMNA (0.47) KDM4ESMN1; SMN2F2
SCHEMBL439187 0.72 LOXL2 (0.60) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL28038088 0.70 LOXL2 (0.62) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL13878259 0.69 LOXL2 (0.67) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL2399333 0.69 LOXL2 (0.52) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL184868 0.68 LOXL2 (1.00) LOXL2HDAC3HDAC6NCOR2KDM4E
SCHEMBL28159710 0.68 LOXL2 (0.56) LOXL2HDAC3HDAC6NCOR2F10

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-104926867-B Preparation method for alkenyl phosphonate compound 北京大学 2017-04-19 CN disclosed
CN-104926867-A Preparation method for alkenyl phosphate compound UNIV BEIJING 2015-09-23 CN disclosed