SCHEMBL8635918

SCHEMBL8635918

O=c1ccc(-c2ccc(OC(F)F)c(OC3CCCC3)c2)n[nH]1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.69
PDE4B Q07343 11/20 0.69
PDE4A P27815 10/20 0.69
PDE4C Q08493 10/20 0.69
PDE3B Q13370 2/20 0.69
PDE3A Q14432 2/20 0.69
LMNA P02545 1/20 0.69
TP53 P04637 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
HPGD P15428 1/20 0.69
TSHR P16473 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C19 P33261 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HRH3 Q9Y5N1 5/20 0.49
KCNH2 Q12809 2/20 0.47

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
SCHEMBL8633365 0.99 PDE4D (0.67) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL8632255 0.86 PDE4A (0.71) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL8631909 0.85 PDE4A (0.70) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL17003768 0.83 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL12595962 0.82 PDE4A (0.54) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL8629195 0.82 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CPDE3B
Zardaverine SCHEMBL15263214 0.82 PDE4A (1.00) PDE4DPDE4BPDE4APDE4CPDE3B
Zardaverine SCHEMBL13334 0.82 PDE4A (1.00) PDE4DPDE4BPDE4APDE4CPDE3B
Zardaverine SCHEMBL29388700 0.82 PDE4A (1.00) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL13071035 0.81 HRH3 (0.49) PDE4DPDE4BPDE4APDE4CPDE3B

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
EP-0553174-B1 ARYLPYRIDAZINONES BYK GULDEN LOMBERG CHEM FAB (DE) 1998-07-08 EP disclosed
US-5376656-A Arylpyridazinones BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-12-27 US disclosed