SCHEMBL2758487

SCHEMBL2758487

CCC(C)c1ccc(OC(C)OCCOc2c3ccccc3cc3c(OC)c(OC)ccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.35
ALDH1A1 P00352 5/20 0.32
MAPT P10636 3/20 0.32
KCNA3 P22001 1/20 0.32
SLC7A5 Q01650 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALOX12 P18054 1/20 0.32
IDO1 P14902 2/20 0.32
TDO2 P48775 2/20 0.32
ADRA1D P25100 3/20 0.31
ADRA1A P35348 3/20 0.31
ADRA1B P35368 3/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK1 P28482 1/20 0.31
PTPRE P23469 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL3325898 0.89 NQO1 (0.34) NQO1KCNA3TP53IDO1TDO2
SCHEMBL2758473 0.88 MAPT (0.38) NQO1ALDH1A1MAPTSLC7A5LMNA
SCHEMBL11922878 0.87 SLC7A5 (0.39) ALDH1A1MAPTSLC7A5LMNATP53
SCHEMBL2758477 0.86 GAA (0.36) ALDH1A1MAPTSLC7A5TP53ADRA1D
SCHEMBL2758489 0.86 SLC7A5 (0.39) ALDH1A1MAPTSLC7A5MAPK1PTPRE
SCHEMBL2758485 0.82 ALDH1A1 (0.36) NQO1ALDH1A1MAPTSLC7A5LMNA
SCHEMBL682226 0.81 SLC7A5 (0.39) NQO1ALDH1A1MAPTSLC7A5LMNA
SCHEMBL2758472 0.80 SLC6A2 (0.36) ALDH1A1MAPTSLC7A5KCNH2GAA
SCHEMBL2758484 0.80 CYP2D6 (0.39) NQO1ALDH1A1MAPTSLC7A5LMNA
SCHEMBL2758504 0.79 SLC7A5 (0.39) ALDH1A1MAPTSLC7A5LMNATP53

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