SCHEMBL11041307

SCHEMBL11041307

CC1OC2CCC3=C(C(=O)c4cc5ccccc5c(O)c4C3=O)C2O1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.40
HPGD P15428 1/20 0.31
SLC37A4 O43826 1/20 0.31
ALOX5 P09917 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
SCHEMBL8901769 0.73 NQO1 (0.41) NQO1ALOX5
SCHEMBL8901807 0.69 NQO1 (0.38) NQO1HPGDALOX5
SCHEMBL8903145 0.69 NQO1 (0.38) NQO1HPGDSLC37A4ALOX5
SCHEMBL8901558 0.69 DNMT3B (0.44) NQO1ALOX5
SCHEMBL8901799 0.69 NQO1 (0.37) NQO1HPGDALOX5
SCHEMBL3831181 0.68 AKT1 (0.48) NQO1
SCHEMBL11130086 0.67 BCL2 (0.61) NQO1HPGD
SCHEMBL8903328 0.66 NQO1 (0.40) NQO1SLC37A4ALOX5
SCHEMBL8903047 0.66 NQO1 (0.40) NQO1SLC37A4ALOX5
SCHEMBL8901645 0.65 NQO1 (0.36) NQO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58110536-A None JP disclosed
JP-59007182-A None JP disclosed
JP-59007183-A None JP disclosed
JP-S597182-A PREPARATION OF NAPHTHACENEQUINONE DERIVATIVE TAMURA YASUMITSU 1984-01-14 JP disclosed
JP-S597183-A NAPHTHACENEQUINONE DERIVATIVE AND ITS PREPARATION TAMURA YASUMITSU 1984-01-14 JP disclosed
JP-S58110536-A NAPHTHACENEQUINONE DERIVATIVE TAMURA YASUMITSU 1983-07-01 JP disclosed