SCHEMBL6199554

SCHEMBL6199554

O=C(O)c1c[c]cc(CC(O)CO)c1O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCN9A Q15858 1/20 0.33
HMGB1 P09429 1/20 0.32
PTPN1 P18031 3/20 0.31
PTPN2 P17706 2/20 0.31
PTPN6 P29350 2/20 0.31

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
SCHEMBL6200533 0.82 LMNA (0.33) ALDH1A1HSD17B10
SCHEMBL6199961 0.80 GABRA1 (0.40) ALDH1A1HPGDHSD17B10HMGB1PTPN1
SCHEMBL6197773 0.76 HMGB1 (0.39) ALDH1A1HPGDHSD17B10HMGB1PTPN1
SCHEMBL7406801 0.75 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10HMGB1PTPN1
SCHEMBL8887180 0.75 HMGB1 (0.54) ALDH1A1HPGDHSD17B10SCN9AHMGB1
SCHEMBL8888079 0.75 HMGB1 (0.54) ALDH1A1HPGDHSD17B10SCN9AHMGB1
SCHEMBL17629550 0.75 HMGB1 (0.54) ALDH1A1HPGDHSD17B10SCN9AHMGB1
SCHEMBL6198273 0.72 SELL (0.42) ALDH1A1HPGDHSD17B10HMGB1
SCHEMBL6199766 0.71 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10HMGB1PTPN1
SCHEMBL6199276 0.71 PTPN1 (0.41) ALDH1A1HPGDHSD17B10HMGB1PTPN1

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