SCHEMBL8476378

SCHEMBL8476378

COc1c(C)[c]c(-c2ccccc2)c(OC)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.50
PDE4A P27815 5/20 0.50
PDE4C Q08493 5/20 0.50
PDE4D Q08499 5/20 0.50
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CA4 P22748 1/20 0.31
CHEK1 O14757 1/20 0.31
AKT2 P31751 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
SCHEMBL8480648 0.88 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL8479443 0.86 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL8479881 0.85 GAA (0.44) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL8481016 0.81 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL8478366 0.79 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL8479437 0.79 GAA (0.44) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL8474730 0.78 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL12181771 0.76 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL8475575 0.76 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL8479030 0.76 GAA (0.44) PDE4BPDE4APDE4CPDE4DMAPK1

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-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed