SCHEMBL6606525

SCHEMBL6606525

COc1ccc(C=C(C#N)c2cccc(C(=O)O)c2)nc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.50
PDE4D Q08499 7/20 0.50
PDE4B Q07343 7/20 0.50
PDE4C Q08493 6/20 0.50
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN7 P35236 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL6606521 1.00 PDE4A (0.50) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL6608398 0.92 PDE4D (0.40) PDE4APDE4DPDE4BPDE4CL3MBTL1
SCHEMBL6608404 0.92 PDE4D (0.40) PDE4APDE4DPDE4BPDE4CL3MBTL1
SCHEMBL6609024 0.89 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL6609021 0.89 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL6605193 0.83 PDE4D (0.51) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL6605187 0.83 PDE4D (0.51) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL6609100 0.83 PDE4B (0.53) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL6609105 0.83 PDE4B (0.53) PDE4APDE4DPDE4BPDE4CPOLB
SCHEMBL6610544 0.81 PDE4D (0.39) PDE4APDE4DPDE4BPDE4CPOLB

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