SCHEMBL7288403

SCHEMBL7288403

COc1ccc(C=O)cc1O[C@@H]1C[C@@H]2CC[C@H]1C2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.60
PDE4A P27815 14/20 0.60
PDE4C Q08493 14/20 0.60
PDE4D Q08499 14/20 0.60
PDE3B Q13370 1/20 0.60
PDE3A Q14432 1/20 0.60
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45

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
SCHEMBL4637207 1.00 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7278320 1.00 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7270844 1.00 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7278324 1.00 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4637716 0.93 ALDH1A1 (0.55) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4637257 0.92 ALDH1A1 (0.54) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7373523 0.84 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7367183 0.84 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7364734 0.83 ALDH1A1 (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7364522 0.80 PDE4B (0.67) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428302-B1 Enzymatic resolution of endo-bicycle(2.2.1)-heptan-2-ol and derived pharmaceutical agents PFIZER (US) 1997-09-24 EP claimed
US-5270206-A Enzymatic resolution of endo-bicyclo[2.2.1]heptan-2-ol and derived pharmaceutical agents PFIZER INC. (US) 1993-12-14 US claimed
US-5461056-A Pyrimidone derivatives and analogs in the treatment of asthma or certain skin disorders PFIZER INC. (US) 1995-10-24 US disclosed
US-5395935-A Endo-bicyclo[2.2.1]heptan-2-ol and derived pharmaceutical agents PFIZER INC. (US) 1995-03-07 US disclosed
US-5342842-A Pyrimidone derivatives and analogs in the treatment of asthma or certain skin disorders PFIZER INC. (US) 1994-08-30 US disclosed
US-5270206-A Enzymatic resolution of endo-bicyclo[2.2.1]heptan-2-ol and derived pharmaceutical agents PFIZER INC. (US) 1993-12-14 US disclosed
WO-1991007501-A1 ENZYMATIC RESOLUTION OF ENDO-BICYCLO[2.2.1]HEPTAN-2-OL AND DERIVED PHARMACEUTICAL AGENTS PFIZER INC. (US) 1991-05-30 WO disclosed