SCHEMBL7366624

SCHEMBL7366624

COc1ccc(-c2ccc(=O)[nH]n2)cc1OC1CC2CCC1C2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.62
PDE4A P27815 14/20 0.62
PDE4C Q08493 14/20 0.62
PDE4D Q08499 14/20 0.62
PDE3B Q13370 5/20 0.55
PDE3A Q14432 5/20 0.55
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL7358558 0.82 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7360400 0.80 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8632255 0.80 PDE4A (0.71) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8631909 0.79 PDE4A (0.70) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8479743 0.79 PDE4A (1.00) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7359192 0.78 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE3B
Hydrochloric Acid SCHEMBL7363927 0.77 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7368236 0.75 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7368338 0.75 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7357311 0.74 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DPDE3B

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
US-5563143-A ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISORDERS PFIZER INC. (US) 1996-10-08 US disclosed
EP-0706795-A2 Catechol diether compounds as inhibitors of TNF release PFIZER INC. (US) 1996-04-17 EP disclosed
EP-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 WO disclosed