SCHEMBL8312871

SCHEMBL8312871

COc1ccc(C2(C)CNC(=O)CO2)cc1OCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.52
PDE4D Q08499 7/20 0.52
PDE4A P27815 8/20 0.44
PDE4C Q08493 6/20 0.44
SIRT2 Q8IXJ6 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
SMPD1 P17405 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL7916375 0.81 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL7906155 0.80 PDE4D (0.53) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL7763026 0.77 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CSIRT2
SCHEMBL7763030 0.77 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CSIRT2
SCHEMBL7763023 0.77 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CSIRT2
SCHEMBL7916424 0.74 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CKMT2A
SCHEMBL7913451 0.74 PDE4A (0.57) PDE4BPDE4DPDE4APDE4CSIRT2
SCHEMBL7906256 0.72 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CKMT2A
SCHEMBL6585357 0.69 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
Daxalipram SCHEMBL450824 0.69 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CMEN1

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-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed