SCHEMBL7764115

SCHEMBL7764115

CCOc1cc([C@@]2(C)CNC(=O)O2)ccc1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.82
PDE4D Q08499 4/20 0.82
PDE4A P27815 5/20 0.44
PDE4C Q08493 3/20 0.43
PDE3A Q14432 3/20 0.41
DYRK1A Q13627 1/20 0.41
IGF1R P08069 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
KMT2A Q03164 3/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE3B Q13370 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7760278 1.00 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL7763958 1.00 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CPDE3A
Daxalipram SCHEMBL450824 0.90 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CPDE3A
Daxalipram SCHEMBL450823 0.90 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CPDE3A
Daxalipram SCHEMBL7760245 0.90 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL11435807 0.90 PDE4B (0.77) PDE4BPDE4DPDE4APDE4CKMT2A
SCHEMBL8489189 0.89 PDE4B (0.89) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL7763217 0.88 PDE4B (0.75) PDE4BPDE4DPDE4APDE4CIGF1R
SCHEMBL7764133 0.88 PDE4B (0.75) PDE4BPDE4DPDE4APDE4CIGF1R
SCHEMBL8486187 0.86 PDE4B (0.72) PDE4BPDE4DPDE4APDE4C

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 4 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
EP-0859766-A1 CHIRAL METHYL PHENYL OXAZOLIDINONES SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-26 EP disclosed
WO-1997015561-A1 CHIRAL METHYL PHENYL OXAZOLIDINONES SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed