SCHEMBL7738982

SCHEMBL7738982

COc1c(O)ccc(C(C)(C)c2ccc(O)c(OC)c2O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
CA1 P00915 3/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 2/20 0.36
MAOA P21397 2/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 3/20 0.34
ALOX15 P16050 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL11882012 0.77 MAPT (0.48) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL1049663 0.75 CA2 (0.45) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL36382 0.75 ALDH1A1 (0.39) CA1TDP1CA2ESR1ESR2
SCHEMBL29370295 0.75 ALDH1A1 (0.39) CA1TDP1CA2ESR1ESR2
SCHEMBL69925 0.74 TDP1 (0.52) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL29403778 0.74 TDP1 (0.52) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL1567262 0.73 ALOX15 (0.41) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL29778650 0.72 ESR1 (0.50) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL4056187 0.71 ESR1 (0.41) TDP1CA2ESR1ESR2LMNA
SCHEMBL9006932 0.71 TDP1 (0.41) PDE4APDE4BPDE4CPDE4DCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001000707-A1 LIGHT DIFFUSING BLOCK COPOLYCARBONATES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
EP-1063253-A1 Light diffusing block copolycarbonates Bayer Aktiengesellschaft (DE) 2000-12-27 EP disclosed