SCHEMBL7765508

SCHEMBL7765508

COc1ccc([C@@](C)(O)CN)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.52
PDE4A P27815 6/20 0.51
PDE4D Q08499 6/20 0.51
PDE4C Q08493 5/20 0.51
MAPK14 Q16539 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL7914451 1.00 PDE4B (0.52) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7995009 1.00 PDE4B (0.52) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7394762 0.88 PDE4B (0.58) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7845534 0.86 PDE4A (0.56) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL6587626 0.85 PDE4B (0.48) PDE4BPDE4APDE4DPDE4CPOLB
Ammonia Solution, Strong SCHEMBL7995011 0.85 PDE4A (0.52) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL3656868 0.84 KDM4E (0.44)
SCHEMBL7915910 0.84 PDE4A (0.49) PDE4BPDE4APDE4DPDE4C
SCHEMBL7906195 0.83 PDE4B (0.54) PDE4BPDE4APDE4DPDE4C
SCHEMBL7400479 0.83 PDE4B (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859766-B1 CHIRAL METHYL PHENYL OXAZOLIDINONES SCHERING AG (DE) 2001-05-16 EP disclosed
US-6025376-A INHIBITORS OF TUMOR NECROSIS FACTOR, TREATING MULTIPLE SCLEROSIS SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed