SCHEMBL6607940

SCHEMBL6607940

COc1cnc(CO)cc1OC1Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.48
PDE4D Q08499 9/20 0.48
PDE4A P27815 8/20 0.48
PDE4C Q08493 8/20 0.48
SLC6A4 P31645 3/20 0.39
NOX1 Q9Y5S8 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL20219570 0.89 PDE4B (0.45) PDE4BPDE4DPDE4APDE4CSLC6A4
SCHEMBL6606093 0.88 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CSLC6A4
SCHEMBL6606602 0.85 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CSLC6A4
SCHEMBL6608207 0.83 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CSLC6A4
SCHEMBL72368 0.80 PDE4A (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL7365094 0.78 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CSLC6A4
SCHEMBL6609841 0.77 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CSLC6A4
SCHEMBL3930071 0.75 PDE4A (0.47) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL30918494 0.75 PDE4A (0.47) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL6606335 0.75 PDE4D (0.50) PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed