SCHEMBL7889092

SCHEMBL7889092

COc1cc2cc3ccccc3cc2c(O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 2/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
GAA P10253 2/20 0.49
ABL1 P00519 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
MCL1 Q07820 1/20 0.49
RIN1 Q13671 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL6681989 0.86 MAPT (0.55) NQO1MAPTKDM4ECDK5CDK5R1
SCHEMBL11084906 0.79 NQO1 (0.62) NQO1MAPTKDM4ECDK5CDK5R1
SCHEMBL7129430 0.79 TUBB1 (0.50) MAPTKDM4ECDK5CDK5R1GAA
SCHEMBL6224037 0.77 MAPT (0.46) MAPTKDM4ECDK5CDK5R1GAA
SCHEMBL29017775 0.77 MAPT (0.50) MAPTKDM4ECDK5CDK5R1GAA
SCHEMBL7092218 0.77 NQO1 (0.50) NQO1MAPTKDM4ECDK5CDK5R1
SCHEMBL4238902 0.76 NQO1 (0.46) NQO1MAPTKDM4ECDK5CDK5R1
SCHEMBL6273246 0.76 MAPT (0.56) MAPTKDM4ECDK5CDK5R1GAA
SCHEMBL6667510 0.76 MAPT (0.49) MAPTKDM4ECDK5CDK5R1GAA
SCHEMBL27744114 0.75 PDE4A (0.48) NQO1MAPTKDM4ECDK5CDK5R1

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-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed