SCHEMBL3325898

SCHEMBL3325898

CCc1ccc(OC(C)OCCOc2c3ccccc3cc3c(OC)c(OC)ccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.34
KCNA3 P22001 1/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
PTAFR P25105 1/20 0.32
ADRA1D P25100 4/20 0.32
ADRA1A P35348 4/20 0.32
ADRA1B P35368 4/20 0.32
MAPK1 P28482 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
TP53 P04637 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
SCHEMBL2758487 0.89 NQO1 (0.35) NQO1KCNA3IDO1TDO2ADRA1D
SCHEMBL3322408 0.85 ALDH1A1 (0.39) KCNA3MAPK1SIRT1
SCHEMBL3322916 0.80 DRD2 (0.39)
SCHEMBL3297979 0.80 GPR84 (0.43) IDO1TP53
SCHEMBL3321919 0.79 CYP2D6 (0.40) MAPK1
SCHEMBL2758473 0.76 MAPT (0.38) NQO1ADRA1DADRA1AADRA1BTP53
SCHEMBL3299018 0.75 HTR1B (0.48) KCNA3
SCHEMBL2758477 0.73 GAA (0.36) ADRA1DADRA1AADRA1BTP53
SCHEMBL11922878 0.73 SLC7A5 (0.39) MAPK1TP53
SCHEMBL3325903 0.73 CYP1A2 (0.36) SIRT1TP53

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