SCHEMBL4140147

SCHEMBL4140147

C=COc1c(OCCC)cc(C2(c3cc(OCCC)c(OC=C)c(OCCC)c3OCCC)c3ccccc3-c3ccccc32)c(OCCC)c1OCCC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.37
MDM2 Q00987 1/20 0.35
ADORA3 P0DMS8 1/20 0.31
ABCB1 P08183 1/20 0.31
TLR8 Q9NR97 1/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
STK17B O94768 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
SCHEMBL4125740 0.91 PDK2 (0.36) PDK2MDM2ADORA3ABCB1
SCHEMBL4141396 0.90 PDK2 (0.37) PDK2MDM2
SCHEMBL4123427 0.89 PDK2 (0.37) PDK2MDM2ADORA3
SCHEMBL4131212 0.88 PDK2 (0.34) PDK2MAPTL3MBTL1
SCHEMBL4140236 0.82 PDK2 (0.36) PDK2
SCHEMBL4131236 0.82 PDK2 (0.37) PDK2
SCHEMBL6323519 0.78 PDK2 (0.36) PDK2MDM2ADORA3ABCB1MAPT
SCHEMBL4147253 0.78 PDK2 (0.34) PDK2
SCHEMBL4140244 0.78 L3MBTL1 (0.34) PDK2MAPTL3MBTL1
SCHEMBL4131087 0.78 PDK2 (0.34) PDK2

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