SCHEMBL7355649

SCHEMBL7355649

COc1ccc(C(=O)O)cc1OC1CC2CCC1C2

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.82
PDE4A P27815 14/20 0.82
PDE4C Q08493 14/20 0.82
PDE4D Q08499 14/20 0.82
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA7 P43166 1/20 0.55
TPMT P51580 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
TSHR P16473 1/20 0.46

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
SCHEMBL7333823 0.90 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7366198 0.88 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DCA12
SCHEMBL7364522 0.86 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL10780014 0.85 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5030807 0.83 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7371302 0.83 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7334239 0.83 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7334244 0.83 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7367938 0.83 MAPT (0.64) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7367940 0.83 MAPT (0.64) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459145-A Calcium independent camp phosphodiesterase inhibitor antidepressant PFIZER INC. (US) 1995-10-17 US 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
US-5294730-A A-Amino-4-alkoxy-3-polycycloalkyloxybenzyl cyanide derivatives PFIZER INC. (US) 1994-03-15 US disclosed
EP-0247725-B1 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER (US) 1994-03-02 EP disclosed
US-5196426-A CALCIUM INDEPENDENT C AMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1993-03-23 US disclosed
US-5128358-A Aryl substituted nitrogen heterocyclic antidepressants PFIZER INC. (US) 1992-07-07 US disclosed
EP-0247725-A2 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER INC. (US) 1987-12-02 EP disclosed
WO-1987006576-A1 CALCIUM INDEPENDENT CAMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1987-11-05 WO disclosed