SCHEMBL7764133

SCHEMBL7764133

COc1ccc(C2(C)CNC(=O)O2)cc1OCC(C)C

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.75
PDE4D Q08499 4/20 0.75
PDE4A P27815 4/20 0.48
PDE4C Q08493 2/20 0.48
ALOX15 P16050 1/20 0.38
XDH P47989 1/20 0.37
IGF1R P08069 1/20 0.37
FPR2 P25090 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PTGER3 P43115 1/20 0.33
SSTR5 P35346 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7763217 1.00 PDE4B (0.75) PDE4BPDE4DPDE4APDE4CALOX15
SCHEMBL6584640 0.90 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CALOX15
SCHEMBL7764115 0.88 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CIGF1R
SCHEMBL7760278 0.88 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CIGF1R
SCHEMBL7763958 0.88 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CIGF1R
SCHEMBL11435807 0.87 PDE4B (0.77) PDE4BPDE4DPDE4APDE4CMEN1
Daxalipram SCHEMBL450824 0.86 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CFPR2
Daxalipram SCHEMBL7760245 0.86 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CFPR2
Daxalipram SCHEMBL450823 0.86 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CFPR2
SCHEMBL8486179 0.85 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CALDH1A1

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 claimed
US-6025376-A INHIBITORS OF TUMOR NECROSIS FACTOR, TREATING MULTIPLE SCLEROSIS SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed