SCHEMBL7368427

SCHEMBL7368427

CO/N=C\Cc1cc2c(C(=O)OC(C)(C)C)ccc(OC)c2o1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.42
PDE4B Q07343 13/20 0.42
PDE4A P27815 12/20 0.42
PDE4C Q08493 12/20 0.42
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7361173 1.00 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL7365432 0.85 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL7049311 0.76 PDE4A (0.56) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL7054770 0.75 PDE4A (0.46) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL7054767 0.75 PDE4A (0.46) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL7054773 0.75 PDE4A (0.46) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL7361170 0.74 PDE4D (0.39) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL74713 0.72 PDE4A (0.49) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL7050225 0.69 PDE4D (0.62) PDE4DPDE4BPDE4APDE4CKDM4E
SCHEMBL5388885 0.68 ALDH1A1 (0.38) KDM4EALDH1A1MAPTKMT2A

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-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed