SCHEMBL6201137

SCHEMBL6201137

COC(=O)c1c[c]c(O)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 8/20 0.51
MAPT P10636 7/20 0.51
HPGD P15428 6/20 0.51
GAA P10253 5/20 0.51
HSD17B10 Q99714 3/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
ATM Q13315 1/20 0.51
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
XDH P47989 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL5924237 0.76 KDM4E (0.63) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6199899 0.76 CA12 (0.39) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6199597 0.75 NOTUM (0.44) KDM4EALDH1A1MAPTHPGDGAA
Hydrochloric Acid SCHEMBL9064595 0.75 KDM4E (0.61) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL28461177 0.74 KDM4E (0.60) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL7405401 0.73 VCAM1 (0.51) KDM4EALDH1A1MAPTHPGDCA12
SCHEMBL9077842 0.72 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL5847286 0.72 GAA (0.44) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL24412 0.72 CA12 (0.69) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL2663753 0.72 GAA (0.74) KDM4EALDH1A1MAPTHPGDGAA

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