SCHEMBL7913451

SCHEMBL7913451

COc1ccc(C2CNC(=O)CO2)cc1OCCOCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.57
PDE4B Q07343 10/20 0.57
PDE4C Q08493 10/20 0.57
PDE4D Q08499 10/20 0.57
SIRT2 Q8IXJ6 1/20 0.38
PDE1C Q14123 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMPD1 P17405 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL7914440 0.91 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DSIRT2
SCHEMBL7916407 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL7906213 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7913434 0.82 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL7916316 0.82 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE1C
SCHEMBL7916353 0.81 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE1C
SCHEMBL7906202 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL6583531 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DSIRT2
SCHEMBL7914465 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7914395 0.79 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DSMPD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed