SCHEMBL6199899

SCHEMBL6199899

Nc1cc(C(=O)O)c[c]c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
CA7 P43166 4/20 0.39
CA14 Q9ULX7 4/20 0.39
KDM4E B2RXH2 11/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 6/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
CA6 P23280 4/20 0.38
LMNA P02545 3/20 0.38
CA4 P22748 3/20 0.38
TP53 P04637 2/20 0.38
CA3 P07451 2/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL6633467 0.77 CA12 (0.52) CA12CA1CA2CA9CA7
SCHEMBL6201137 0.76 KDM4E (0.51) CA12CA1CA2CA9CA7
SCHEMBL6632782 0.76 CA12 (0.41) CA12CA1CA2CA9CA7
SCHEMBL2191755 0.72 ALDH1A1 (0.56) CA12CA1CA2CA9CA7
SCHEMBL11231158 0.72
Hydrochloric Acid SCHEMBL9064511 0.70 ALDH1A1 (0.54) CA12CA1CA2CA9CA7
SCHEMBL6632482 0.70 CA12 (0.48) CA12CA1CA2CA9CA7
SCHEMBL1000015 0.69 CA12 (0.48) CA12CA1CA2CA9CA7
SCHEMBL6200068 0.68 CASP6 (0.55) CA1CA2ALDH1A1MAPTLMNA
SCHEMBL7407662 0.67 PTPN1 (0.45) ALDH1A1

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