SCHEMBL2758505

SCHEMBL2758505

CCC(C)c1ccc(OC(C)OCCOc2ccc(C)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 6/20 0.36
TSHR P16473 1/20 0.36
MCL1 Q07820 2/20 0.36
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IDO1 P14902 1/20 0.33
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
BCL2 P10415 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL682226 0.89 SLC7A5 (0.39) SLC7A5MEN1KMT2ATDP1ALDH1A1
SCHEMBL2758471 0.85 ALDH1A1 (0.36) SLC7A5MEN1KMT2ATDP1ALDH1A1
SCHEMBL2758474 0.85 HTR1B (0.46) KMT2A
SCHEMBL2758494 0.83 SLC7A5 (0.37) SLC7A5MEN1KMT2ATDP1ALDH1A1
SCHEMBL2758475 0.82 SLC7A5 (0.37) SLC7A5MEN1KMT2ATDP1ALDH1A1
SCHEMBL2758504 0.81 SLC7A5 (0.39) SLC7A5MEN1KMT2ATDP1ALDH1A1
SCHEMBL2758477 0.80 GAA (0.36) SLC7A5MEN1KMT2ATDP1ALDH1A1
SCHEMBL111973 0.80 ALDH1A1 (0.49) SLC7A5MEN1KMT2ATDP1ALDH1A1
SCHEMBL683286 0.80 SLC7A5 (0.43) SLC7A5MEN1KMT2ATDP1ALDH1A1
SCHEMBL2758491 0.80 TP53 (0.35) SLC7A5MEN1KMT2ATDP1ALDH1A1

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