SCHEMBL6605848

SCHEMBL6605848

COc1ncc(/C=C(\C#N)c2cccc(C(=O)O)c2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
POLB P06746 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN7 P35236 5/20 0.44
PTPN12 Q05209 5/20 0.44
PTPN22 Q9Y2R2 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
RECQL P46063 1/20 0.42
HIF1A Q16665 1/20 0.42
EGFR P00533 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42

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
SCHEMBL6605851 1.00 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6608855 0.92 SMN1; SMN2 (0.42) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6608853 0.92 SMN1; SMN2 (0.42) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6605175 0.90 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6605178 0.90 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6608598 0.89 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6608593 0.89 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6609100 0.82 PDE4B (0.53) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6609105 0.82 PDE4B (0.53) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6609662 0.81 MAPT (0.41) PDE4APDE4BPDE4CPDE4DPOLB

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