SCHEMBL8707692

SCHEMBL8707692

COc1ccc(N2C(=O)c3ccccc3C2=O)cc1OC1Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.53
NR1H2 P55055 1/20 0.53
PDE4B Q07343 8/20 0.52
PDE4A P27815 6/20 0.52
PDE4C Q08493 6/20 0.52
PDE4D Q08499 6/20 0.52
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
GRM1 Q13255 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL8707476 0.92 PDE4B (0.47) NR1H3NR1H2PDE4BPDE4APDE4C
SCHEMBL7688170 0.86 PDE4B (0.57) NR1H3NR1H2PDE4BPDE4APDE4C
SCHEMBL8713399 0.85 PDE4B (0.56) NR1H3NR1H2PDE4BPDE4APDE4C
SCHEMBL7689616 0.83 NR1H3 (0.71) NR1H3NR1H2MEN1KMT2ALMNA
SCHEMBL8713095 0.81 PDE4B (0.47) NR1H3NR1H2PDE4BPDE4APDE4C
SCHEMBL8713937 0.81 PDE4B (0.47) NR1H3NR1H2PDE4BPDE4APDE4C
SCHEMBL8710571 0.81 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL8711275 0.80 RAB9A (0.57) NR1H3NR1H2PDE4BPDE4APDE4C
SCHEMBL8707317 0.80 NR1H3 (0.51) NR1H3NR1H2PDE4BPDE4APDE4C
SCHEMBL8710486 0.79 PDE4B (0.44) NR1H3NR1H2PDE4BPDE4APDE4C

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
WO-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed