SCHEMBL7973374

SCHEMBL7973374

COc1ccc(N(Cc2ccccc2)C2=CC(=O)CCC2)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.45
PDE4B Q07343 15/20 0.45
PDE4C Q08493 14/20 0.45
PDE4D Q08499 14/20 0.45
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL2974540 1.00 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2971585 0.95 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5704569 0.95 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5704606 0.91 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2981308 0.91 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2976024 0.81 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL2976708 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL2978219 0.81 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2976079 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL2980306 0.76 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235736-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0994100-A1 3-ANILINO-2-CYCLOALKENONE DERIVATES Nikken Chemicals Company, Limited (JP) 2000-04-19 EP disclosed