SCHEMBL8890532

SCHEMBL8890532

COc1ccc(-c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.70
PDE4B Q07343 7/20 0.62
PDE4A P27815 6/20 0.62
PDE4C Q08493 6/20 0.62
CYP2B6 P20813 1/20 0.58
ABL1 P00519 4/20 0.52
KCNH2 Q12809 1/20 0.51
MAPT P10636 2/20 0.49
GFER P55789 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE11A Q9HCR9 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48

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
SCHEMBL8889395 0.87 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL30614148 0.84 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8890316 0.84 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL15270505 0.83 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8890987 0.81 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL6874729 0.81 PDE4D (0.81) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL30614194 0.81 PDE4D (0.81) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL2908650 0.81 PDE4D (0.81) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8891383 0.81 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8891373 0.81 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CCYP2B6

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-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed