SCHEMBL6200470

SCHEMBL6200470

C=CCOc1[c]cc(C=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
PTPRC P08575 1/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
LIG1 P18858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
FDPS P14324 1/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL3849588 0.77 MAPT (0.44) CA12CA1CA2CA7CA9
SCHEMBL28043172 0.76 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EFDPS
SCHEMBL15067554 0.75 ALDH1A1 (0.33) CA12CA1CA2CA7CA9
SCHEMBL15067892 0.75 TSHR (0.41) CA12CA1CA2CA7CA9
SCHEMBL15068062 0.75 MAPT (0.35) CA12CA1CA2CA7CA9
SCHEMBL28011506 0.75 ALDH1A3 (0.37) NPC1GAAALDH1A1HPGDKDM4E
SCHEMBL25223579 0.73 MAOA (0.50) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL27982338 0.72 CA12 (0.33) CA12CA1CA2CA7CA9
SCHEMBL27534200 0.72 TSHR (0.50) NPC1TP53RAB9AALDH1A1HPGD
SCHEMBL1206990 0.72 ALDH1A1 (0.48) ALDH1A1HPGDFDPS

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