SCHEMBL7369281

SCHEMBL7369281

COc1ccc(N(C(=O)O)C2CC2)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.56
PDE4D Q08499 11/20 0.56
PDE4A P27815 10/20 0.56
PDE4C Q08493 10/20 0.56
POLB P06746 1/20 0.52
MAPK14 Q16539 1/20 0.50

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
SCHEMBL7468318 0.78 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL27600848 0.77 PDE4A (0.55) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL1028427 0.76 PDE4B (0.80) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL30009845 0.76 PDE4B (0.80) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL1157761 0.76 PDE4A (0.52) PDE4BPDE4DPDE4APDE4C
Hydrochloric Acid SCHEMBL6586041 0.75 PDE4B (0.78) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7336609 0.75 PDE4D (0.78) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL9005494 0.75 PDE4D (0.78) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL6952246 0.75 PDE4A (0.51) PDE4BPDE4DPDE4APDE4C
SCHEMBL27472680 0.75 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CMAPK14

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-1994027947-A1 PHENYLCYCLOPROPANE COMPOUNDS AND THEIR USE AS cAMP AND TNF INHIBITORS RHONE-POULENC RORER LTD. (GB) 1994-12-08 WO disclosed