SCHEMBL5132385

SCHEMBL5132385

COc1ccc(CC=O)c(O)c1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.42
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.39
PDE4B Q07343 7/20 0.39
PDE4A P27815 7/20 0.39
PDE4C Q08493 5/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL3631682 0.75 ERN1 (0.46) KMT2ARECQL
SCHEMBL3677096 0.74 PDE4D (0.49) PDE4DKMT2APDE4BPDE4APDE4C
SCHEMBL7375826 0.72 PDE4B (0.57) PDE4DRECQLPDE4BPDE4APDE4C
SCHEMBL3681993 0.72 PDE4D (0.50) PDE4DKMT2APDE4BPDE4APDE4C
SCHEMBL1832013 0.71 ERN1 (0.46) KMT2A
SCHEMBL21822829 0.71 ERN1 (0.39) KMT2A
SCHEMBL7151009 0.70 AOC3 (0.49) KMT2APOLB
SCHEMBL12479001 0.70 PTGS1 (0.42)
SCHEMBL21823724 0.69 ERN1 (0.51) PDE4DKMT2APDE4BPDE4APDE4C
SCHEMBL8748732 0.69 KMT2A (0.52) PDE4DKMT2APDE4BPDE4APDE4C

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-2008006051-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 WO disclosed