SCHEMBL6201414

SCHEMBL6201414

CCOc1ccc(-c2nc(-c3cc(C(=O)O)ccc3O)cs2)cc1OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.62
PDE4B Q07343 1/20 0.62
PDE4C Q08493 1/20 0.62
PDE4D Q08499 1/20 0.62
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.45
KDM4E B2RXH2 6/20 0.45
NPC1 O15118 5/20 0.45
CYP19A1 P11511 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
GLA P06280 1/20 0.45
EIF4E P06730 3/20 0.45

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
SCHEMBL6200009 0.95 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6196583 0.90 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6200657 0.86 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DRAB9A
Hydrochloric Acid SCHEMBL6201928 0.84 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6200825 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6197959 0.84 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6198528 0.83 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL4653815 0.83 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7502906 0.83 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL6201957 0.83 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DRAB9A

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