SCHEMBL28064687

SCHEMBL28064687

O=S(=O)(O)c1c(-c2ccccc2)c(-c2ccccc2)c(O)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
DAPK1 P53355 1/20 0.42
CYP2D6 P10635 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
HNF4A P41235 1/20 0.37
KDM4E B2RXH2 2/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL23433032 0.92 SMN1; SMN2 (0.43) SMN1; SMN2TSHRDAPK1CYP2D6HDAC4
SCHEMBL1754108 0.79 PDE4B (0.52) SMN1; SMN2HDAC4HDAC2HDAC8HDAC6
SCHEMBL14353864 0.77 PDE4B (0.50) HDAC4HDAC2HDAC8HDAC6HTT
SCHEMBL27490980 0.76 TSHR (0.40) SMN1; SMN2TSHRCYP2D6HTTMAPT
SCHEMBL10908718 0.75 HDAC4 (0.46) SMN1; SMN2TSHRDAPK1CYP2D6HDAC4
SCHEMBL28020176 0.75 HDAC4 (0.46) SMN1; SMN2TSHRDAPK1CYP2D6HDAC4
SCHEMBL31282188 0.74 CYP2D6 (0.42) SMN1; SMN2TSHRDAPK1CYP2D6HTT
SCHEMBL454643 0.74 PDE4B (0.54) HDAC4HDAC2HDAC8HDAC6HTT
SCHEMBL29001722 0.74 PDE4B (0.58) SMN1; SMN2HDAC4HDAC2HDAC8HDAC6
SCHEMBL21794267 0.73 TSHR (0.41) SMN1; SMN2TSHRDAPK1CYP2D6HDAC4

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-105555402-A Metathesis catalyst and reaction using the same XIMO AG 2016-05-04 CN disclosed