SCHEMBL4131212

SCHEMBL4131212

C=COc1c(OCC)cc(C2(c3cc(OCC)c(OC=C)c(OCC)c3OCC)c3ccccc3-c3ccccc32)c(OCC)c1OCC

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.32
TUBB1 Q9H4B7 1/20 0.32
NPC1 O15118 1/20 0.32
PTPRC P08575 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
DVL1 O14640 1/20 0.30
CYP3A4 P08684 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
SCHEMBL4140244 0.90 L3MBTL1 (0.34) PDK2KDM4EHPGDSMN1; SMN2NPSR1
SCHEMBL4143803 0.89 PDK2 (0.35) PDK2KDM4EHPGDSMN1; SMN2NPSR1
SCHEMBL4140147 0.88 PDK2 (0.37) PDK2L3MBTL1MAPT
SCHEMBL4131087 0.87 PDK2 (0.34) PDK2KDM4EHPGDSMN1; SMN2NPSR1
SCHEMBL557052 0.82 TSHR (0.36) PDK2TSHRNPC1L3MBTL1ALDH1A1
SCHEMBL4131674 0.82 PDK2 (0.36) PDK2KDM4EHPGDSMN1; SMN2NPSR1
SCHEMBL4137298 0.81 PDK2 (0.35) PDK2
SCHEMBL4125740 0.78 PDK2 (0.36) PDK2
SCHEMBL4141404 0.77 ALDH1A1 (0.37) PDK2KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL2866535 0.77 TSHR (0.36) PDK2KDM4EHPGDSMN1; SMN2TSHR

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