SCHEMBL2758477

SCHEMBL2758477

CCC(C)c1ccc(OC(C)OCCOc2ccc3ccccc3c2OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC7A5 Q01650 1/20 0.35
MAPT P10636 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KCNH2 Q12809 2/20 0.33
TSHR P16473 1/20 0.33
MMP3 P08254 2/20 0.32
HTR1B P28222 2/20 0.32
GLA P06280 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
ADRA1D P25100 1/20 0.32

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
SCHEMBL2758473 0.92 MAPT (0.38) GAATDP1L3MBTL1SLC7A5MAPT
SCHEMBL2758487 0.86 NQO1 (0.35) GAASLC7A5MAPTALDH1A1KCNH2
SCHEMBL682226 0.85 SLC7A5 (0.39) GAATDP1SLC7A5MAPTALDH1A1
SCHEMBL2758474 0.85 HTR1B (0.46) SLC6A4HTR1BKMT2ANR2E1
SCHEMBL2758475 0.85 SLC7A5 (0.37) GAATDP1L3MBTL1SLC7A5MAPT
SCHEMBL2758489 0.84 SLC7A5 (0.39) GAATDP1L3MBTL1SLC7A5MAPT
SCHEMBL11922878 0.83 SLC7A5 (0.39) GAATDP1L3MBTL1SLC7A5MAPT
SCHEMBL2758472 0.83 SLC6A2 (0.36) GAATDP1SLC7A5MAPTSLC6A2
SCHEMBL2758494 0.81 SLC7A5 (0.37) TDP1SLC7A5ALDH1A1KCNH2TSHR
SCHEMBL2758471 0.81 ALDH1A1 (0.36) GAATDP1L3MBTL1SLC7A5MAPT

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-20120003585-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed