SCHEMBL7214858

SCHEMBL7214858

COc1ccc(CCON=O)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.55
PDE4A P27815 11/20 0.47
PDE4D Q08499 7/20 0.47
PDE4C Q08493 6/20 0.47
MAPK14 Q16539 1/20 0.46
RECQL P46063 1/20 0.46
POLB P06746 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL7353001 0.80 KDM4E (0.66) PDE4BPDE4APDE4DPDE4CRECQL
SCHEMBL5610571 0.80 RECQL (0.61) PDE4BPDE4APDE4DPDE4CRECQL
SCHEMBL27606600 0.79 PDE4B (0.52) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL6889304 0.79 PDE4A (0.63) PDE4BPDE4APDE4DPDE4C
Nitrous Acid SCHEMBL7214855 0.79 PDE4B (0.54) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7325038 0.79 PDE4B (0.57) PDE4BPDE4APDE4DPDE4CRECQL
SCHEMBL7333965 0.79 PDE4B (0.56) PDE4BPDE4APDE4DPDE4CRECQL
SCHEMBL8157358 0.78 HDAC1 (0.56) PDE4BPDE4APDE4DPDE4CMAPK14
Hydrochloric Acid SCHEMBL6887553 0.78 PDE4A (0.62) PDE4BPDE4APDE4DPDE4C
SCHEMBL7335293 0.78 PDE4A (0.58) PDE4BPDE4APDE4DPDE4CMAPK14

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-1308440-A1 PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-07 EP disclosed