SCHEMBL4136981

SCHEMBL4136981

C=COc1ccc(C2(c3ccc(OC=C)c(OC)c3OC)c3ccccc3-c3ccccc32)c(OC)c1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAOB P27338 1/20 0.32
PDK2 Q15119 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
PTGS2 P35354 2/20 0.31
MAPT P10636 4/20 0.30
ALDH1A1 P00352 3/20 0.30
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
KDM4E B2RXH2 2/20 0.30
USP2 O75604 1/20 0.30
DUSP3 P51452 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4131674 0.82 PDK2 (0.36) PDK2SMN1; SMN2KDM4E
SCHEMBL4141404 0.80 ALDH1A1 (0.37) MAOBPDK2SMN1; SMN2MAPTALDH1A1
SCHEMBL4140236 0.80 PDK2 (0.36) PDK2
SCHEMBL4137497 0.76 ESR1 (0.33) PDK2SMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL4142994 0.75 MAPT (0.35) MAOBPDK2SMN1; SMN2RAB9ANPC1
SCHEMBL6328902 0.75 ELANE (0.37) PARP1HDAC4HDAC2HDAC8MAOB
SCHEMBL4135409 0.73 PDK2 (0.36) PDK2
SCHEMBL4135413 0.72 LMNA (0.35) PDK2LMNA
SCHEMBL4135411 0.72
SCHEMBL4137370 0.72 MEN1 (0.33) MAOBPDK2PTGS2MAPTALDH1A1

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
US-20090068569-A1 Resin composition for hologram recording material, hologram recording material, and method for producing hologram recording medium NIPPON PAINT CO., LTD. 2009-03-12 US disclosed