SCHEMBL6197407

SCHEMBL6197407

C=C(C)Cc1c[c]cc(C(=O)OC)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NFKB1 P19838 1/20 0.32
XDH P47989 1/20 0.32
GFER P55789 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL7496401 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10
SCHEMBL7409700 0.81 LMNA (0.38) LMNAALDH1A1TSHRCA12CA1
SCHEMBL6198695 0.79 TSHR (0.48) LMNAALDH1A1TSHRPOLBKDM4E
SCHEMBL6201424 0.78 NPC1 (0.37) LMNAALDH1A1TSHRCA12CA1
SCHEMBL6196175 0.77 LMNA (0.35) LMNAALDH1A1TSHRCA12CA1
SCHEMBL8383960 0.77 ALDH1A1 (0.49) LMNAALDH1A1TSHRCA12CA1
SCHEMBL29116976 0.75 CA12 (0.35) LMNAALDH1A1TSHRCA12CA1
SCHEMBL12035516 0.75 ALDH1A1 (0.44) LMNAALDH1A1CA12CA1CA2
SCHEMBL8140496 0.75 ALDH1A1 (0.34) LMNAALDH1A1TSHRCA12CA1
SCHEMBL6200533 0.74 LMNA (0.33) LMNAALDH1A1TSHRCA12CA1

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