SCHEMBL8488126

SCHEMBL8488126

CCOc1cc(C2(C)CN(C)C(=O)O2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.51
PDE4D Q08499 4/20 0.51
PDE4A P27815 5/20 0.42
PDE4C Q08493 3/20 0.42
TP53 P04637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
DYRK1A Q13627 1/20 0.38
PDE3A Q14432 1/20 0.38
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IGF1R P08069 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
SCHEMBL8486551 0.86 PDE4B (0.47) PDE4BPDE4DPDE4APDE4C
SCHEMBL8486342 0.82 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL6584797 0.78 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CCTSD
SCHEMBL7170246 0.78 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL7170243 0.78 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL7764115 0.77 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL7763958 0.77 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL7760278 0.77 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL6588290 0.76 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CKMT2A
SCHEMBL6584635 0.75 PDE4B (0.48) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783591-A Administration of oxazolidinone and pyrolidinone compounds for the treatment of inflammation SCHERING AKTIENGESELLSCHAFT (DE) 1998-07-21 US claimed
EP-0198919-B1 PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 1990-02-28 EP claimed
EP-0198919-A1 PHARMACEUTICAL PREPARATIONS. SCHERING AG (DE) 1986-10-29 EP claimed
WO-1986002268-A1 PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1986-04-24 WO claimed
US-5998453-A ANTIINFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-12-07 US disclosed
US-5783591-A Administration of oxazolidinone and pyrolidinone compounds for the treatment of inflammation SCHERING AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0198919-B1 PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 1990-02-28 EP disclosed
EP-0198919-A1 PHARMACEUTICAL PREPARATIONS. SCHERING AG (DE) 1986-10-29 EP disclosed
WO-1986002268-A1 PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1986-04-24 WO disclosed