SCHEMBL6199766

SCHEMBL6199766

CNCc1c[c]cc(C(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
PTPN1 P18031 7/20 0.37
PTPN2 P17706 2/20 0.37
PTPN6 P29350 2/20 0.37
HMGB1 P09429 3/20 0.36
CXCL12 P48061 2/20 0.36
MAOB P27338 1/20 0.35
KDM4E B2RXH2 2/20 0.32
HSP90AB1 P08238 1/20 0.32
HTT P42858 1/20 0.31
KLKB1 P03952 1/20 0.31
CTSB P07858 1/20 0.31
MMP9 P14780 1/20 0.31
DNMT1 P26358 1/20 0.31
DNMT3B Q9UBC3 1/20 0.31
DNMT3L Q9UJW3 1/20 0.31
DNMT3A Q9Y6K1 1/20 0.31
SELL P14151 1/20 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
SCHEMBL7406801 0.83 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10PTPN1PTPN2
SCHEMBL6199276 0.79 PTPN1 (0.41) ALDH1A1HPGDHSD17B10PTPN1HMGB1
SCHEMBL6199961 0.77 GABRA1 (0.40) ALDH1A1HPGDHSD17B10PTPN1PTPN2
SCHEMBL6197773 0.76 HMGB1 (0.39) ALDH1A1HPGDHSD17B10PTPN1PTPN2
SCHEMBL7496401 0.76 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10PTPN1PTPN2
SCHEMBL6198273 0.76 SELL (0.42) ALDH1A1HPGDHSD17B10HMGB1CXCL12
SCHEMBL6200810 0.75 NPSR1 (0.40) ALDH1A1HPGDHSD17B10PTPN1PTPN2
SCHEMBL6202597 0.74 GABRA1 (0.37) ALDH1A1HPGDHSD17B10PTPN1PTPN2
SCHEMBL6199554 0.71 ALDH1A1 (0.33) ALDH1A1HPGDHSD17B10PTPN1PTPN2
SCHEMBL6199994 0.71 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10HMGB1CXCL12

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