SCHEMBL7842977

SCHEMBL7842977

COc1ccc2c(c1)N(C)C(=O)/C2=C\c1ccc(OC)c(O[C@H]2C[C@@H]3CC[C@H]2C3)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.74
PDE4A P27815 12/20 0.74
PDE4C Q08493 12/20 0.74
PDE4D Q08499 12/20 0.74
PDE3B Q13370 1/20 0.58
PDE3A Q14432 1/20 0.58
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7843470 1.00 PDE4B (0.74) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7851247 0.93 PDE4B (0.82) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7852231 0.93 PDE4B (0.82) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7850746 0.90 PDE4B (0.80) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7855075 0.90 PDE4B (0.80) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7843451 0.89 PDE4B (0.79) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7851425 0.89 PDE4B (0.79) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7852470 0.86 PDE4B (0.82) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7857139 0.85 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7852973 0.85 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DPDE3B

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
EP-0730579-B1 SUBSTITUTED INDOLES AS PHOSPHODIESTERASE TYPE IV INHIBITORS PFIZER (US) 2001-03-07 EP disclosed