SCHEMBL7700892

SCHEMBL7700892

COc1ccc(N2Cc3ccccc3C2(C)O)cc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.43
PDE4A P27815 10/20 0.43
PDE4D Q08499 10/20 0.43
PDE4C Q08493 8/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL7696756 0.76 PDE4B (0.49) PDE4BPDE4APDE4DPDE4C
SCHEMBL8707894 0.76 PDE4B (0.45) PDE4BPDE4APDE4DPDE4C
SCHEMBL8707032 0.74 PDE4B (0.45) PDE4BPDE4APDE4DPDE4C
SCHEMBL7694316 0.70 HTR2C (0.61) PDE4BPDE4APDE4DPDE4C
SCHEMBL8708075 0.70 SMN1; SMN2 (0.50) PDE4BPDE4APDE4DPDE4C
SCHEMBL8710395 0.70 PDE4D (0.45) PDE4BPDE4APDE4DPDE4CPOLB
SCHEMBL1157492 0.69 PDE4A (0.44) PDE4BPDE4APDE4DPDE4C
SCHEMBL8715714 0.69 PDE4A (0.49) PDE4BPDE4APDE4DPDE4CPOLB
SCHEMBL7688170 0.68 PDE4B (0.57) PDE4BPDE4APDE4DPDE4C
SCHEMBL5084709 0.67 CA12 (0.54) PDE4BPDE4APDE4DPDE4CPOLB

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-2002081446-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOINDOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG CO., LTD. (KR) 2002-10-17 WO disclosed