SCHEMBL6202431

SCHEMBL6202431

CCCCCCCCCOC(=O)c1cc(-c2csc(-c3ccc(OCC)c(OCC)c3)n2)ccc1OCOC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
EIF4E P06730 4/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPN11 Q06124 4/20 0.39
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
FPR2 P25090 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
DUSP3 P51452 1/20 0.38
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
ATP4A P20648 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
SCHEMBL6200194 0.90 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6199809 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6198142 0.84 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6199522 0.81 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6197559 0.78 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6199358 0.78 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6197735 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL7488190 0.77 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL6199020 0.77 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DEIF4E
SCHEMBL7498190 0.76 PDE4A (0.47) 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 10 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-0513387-B1 THIAZOLE DERIVATIVES AS ACTIVE OXYGEN INHIBITORS OTSUKA PHARMA CO LTD (JP) 2000-03-01 EP 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