SCHEMBL7172425

SCHEMBL7172425

COc1ccc([C@@]2(C)CCC(=O)O2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
PDE4B Q07343 8/20 0.47
PDE4D Q08499 7/20 0.47
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
MAOA P21397 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 6/20 0.41
PDE4C Q08493 6/20 0.41
CASP1 P29466 2/20 0.40
TSHR P16473 1/20 0.40
SLC6A4 P31645 1/20 0.39
GAA P10253 1/20 0.39
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL7172429 1.00 LMNA (0.48) LMNAPDE4BPDE4DALDH1A1POLB
SCHEMBL7170246 0.89 PDE4B (0.53) LMNAPDE4BPDE4DALDH1A1POLB
SCHEMBL7170243 0.89 PDE4B (0.53) LMNAPDE4BPDE4DALDH1A1POLB
SCHEMBL7174936 0.87 PDE4B (0.66) LMNAPDE4BPDE4DALDH1A1POLB
SCHEMBL7177909 0.87 PDE4B (0.66) LMNAPDE4BPDE4DALDH1A1POLB
SCHEMBL7175061 0.87 PDE4B (0.66) LMNAPDE4BPDE4DALDH1A1POLB
SCHEMBL7170256 0.86 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL7174439 0.86 PDE4B (0.57) PDE4BPDE4DPDE4APDE4C
SCHEMBL7178980 0.86 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL7171526 0.86 PDE4B (0.50) LMNAPDE4BPDE4DALDH1A1POLB

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-0900212-B1 CHIRAL PHENYLDIHYDROFURANONES AS PDE-IV INHIBITORS SCHERING AG (DE) 2003-12-17 EP claimed
US-6011060-A TREATING A DISEASE MEDIATED BY ACTIVATION OF THE TUMOR NECROSIS FACTOR SCHERING AKTIENGESELLSCHAFT (DE) 2000-01-04 US claimed
EP-0900212-B1 CHIRAL PHENYLDIHYDROFURANONES AS PDE-IV INHIBITORS SCHERING AG (DE) 2003-12-17 EP disclosed
US-6011060-A TREATING A DISEASE MEDIATED BY ACTIVATION OF THE TUMOR NECROSIS FACTOR SCHERING AKTIENGESELLSCHAFT (DE) 2000-01-04 US disclosed