SCHEMBL6201718

SCHEMBL6201718

[CH2]C=CCc1cccc(OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.37
PPARG P37231 3/20 0.37
CETP P11597 2/20 0.37
IDO1 P14902 2/20 0.37
AGXT P21549 2/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CMA1 P23946 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
KIF11 P52732 1/20 0.33
MAOB P27338 1/20 0.31
EPOR P19235 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
SCHEMBL8638304 0.83 ALDH1A1 (0.42) PPARAPPARGCETPIDO1AGXT
SCHEMBL6158441 0.81 IDO1 (0.56) IDO1AGXTCHRM2CHRM1CHRM3
SCHEMBL7348497 0.81 CHRM2 (0.40) PPARAPPARGCETPIDO1AGXT
SCHEMBL7348493 0.80 PPARA (0.38) PPARAPPARGCETPIDO1AGXT
SCHEMBL7348489 0.80 PPARA (0.38) PPARAPPARGCETPIDO1AGXT
SCHEMBL6411834 0.78 CETP (0.40) PPARAPPARGCETPIDO1AGXT
SCHEMBL9621500 0.75 KDM4E (0.45) PPARAPPARGCETPIDO1AGXT
SCHEMBL5749580 0.74 TSHR (0.44) PPARAPPARGCETPCMA1
SCHEMBL8048535 0.74 CHRM2 (0.43) PPARAPPARGCETPIDO1AGXT
SCHEMBL14667219 0.74 PPARA (0.43) PPARAPPARGCETPIDO1AGXT

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