SCHEMBL6197296

SCHEMBL6197296

CCOc1ccc(-c2nc(-c3cnc(C(=O)O)cn3)cs2)cc1OCC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.74
PDE4B Q07343 1/20 0.74
PDE4C Q08493 1/20 0.74
PDE4D Q08499 1/20 0.74
ALDH1A1 P00352 5/20 0.50
S1PR1 P21453 1/20 0.47
EIF4E P06730 2/20 0.46
ECE1 P42892 3/20 0.46
KDM4E B2RXH2 5/20 0.46
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CYP19A1 P11511 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
FPR2 P25090 1/20 0.43
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL6202579 0.89 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6199367 0.86 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6199639 0.85 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6201957 0.85 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
Tetomilast SCHEMBL29369138 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
Tetomilast SCHEMBL436663 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8924565 0.84 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8923878 0.84 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8924731 0.84 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8925296 0.83 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DALDH1A1

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
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
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed