SCHEMBL6199809

SCHEMBL6199809

CCCCCCCCCOC(=O)c1cc(-c2csc(-c3ccc(OCC)c(OCC)c3)n2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
EIF4E P06730 2/20 0.43
KDM4E B2RXH2 2/20 0.41
KDM4A O75164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CDC25C P30307 1/20 0.39
DUSP3 P51452 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39

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
SCHEMBL6200194 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6202431 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DEIF4E
Hydrochloric Acid SCHEMBL6195364 0.86 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6199473 0.86 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6198018 0.86 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL4653815 0.83 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6200451 0.83 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6200469 0.83 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6195269 0.82 ALDH1A1 (0.53) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL8922392 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DEIF4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed