SCHEMBL8486342

SCHEMBL8486342

CCOc1cc(C2(C)CN(CC3CC3)C(=O)O2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.46
PDE4D Q08499 8/20 0.46
PDE4A P27815 9/20 0.40
PDE4C Q08493 7/20 0.40
TP53 P04637 1/20 0.39
AKR1B1 P15121 1/20 0.37
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
DYRK1A Q13627 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL8488126 0.82 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL8484879 0.79 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CAKR1B1
SCHEMBL8486551 0.78 PDE4B (0.47) PDE4BPDE4DPDE4APDE4C
SCHEMBL8484115 0.76 PDE4B (0.46) PDE4BPDE4DPDE4APDE4C
SCHEMBL7170243 0.72 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL7170246 0.72 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL6584635 0.72 PDE4B (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL7760278 0.71 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL7763958 0.71 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CTP53
SCHEMBL7764115 0.71 PDE4B (0.82) PDE4BPDE4DPDE4APDE4CTP53

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 7 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