SCHEMBL2490188

SCHEMBL2490188

C=CC(NCCCCC)OS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
PPARA Q07869 4/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
EPHX1 P07099 6/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL23754588 0.75 CA2 (0.43) CA2CA1PPARACA12CA7
SCHEMBL27550829 0.75 CA2 (0.39) CA2CA1PPARACA12CA7
SCHEMBL3463449 0.75 ZDHHC20 (0.42) ZDHHC20ZDHHC2EPHX1
SCHEMBL8815454 0.75 ZDHHC20 (0.46) ZDHHC20ZDHHC2EPHX1
SCHEMBL27610479 0.74 TP53 (0.43) ZDHHC20ZDHHC2TP53
SCHEMBL10618168 0.72 TP53 (0.42) ZDHHC20ZDHHC2EPHX1ADH1BADH1C
SCHEMBL11125680 0.72 TP53 (0.42) ZDHHC20ZDHHC2EPHX1ADH1BADH1C
SCHEMBL15819399 0.71 TSHR (0.37) ZDHHC20ZDHHC2CA2CA1TP53
SCHEMBL299757 0.70 ZDHHC20 (0.42) ZDHHC20ZDHHC2EPHX1ADH1BADH1C
SCHEMBL4354667 0.70 ZDHHC20 (0.42) ZDHHC20ZDHHC2PPARAEPHX1ADH1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8337710-B2 Ozone oxidation accelerator, ozone oxidation accelerator composition, and ozone treatment method LION CORPORATION (JP) 2012-12-25 US disclosed
EP-2495296-A1 Ozone treatment method Lion Corporation (JP) 2012-09-05 EP disclosed
US-20110223073-A1 OZONE OXIDATION ACCELERATOR, OZONE OXIDATION ACCELERATOR COMPOSITION, AND OZONE TREATMENT METHOD LION CORPORATION (JP) 2011-09-15 US disclosed
US-20100147777-A1 Ozone Oxidation Accelerator, Ozone Oxidation Accelerator Composition, and Ozone Treatment Method LION CORPORATION (JP) 2010-06-17 US disclosed
EP-1942170-A1 ACCELERATOR FOR OZONE OXIDATION, OZONE OXIDATION ACCELERATOR COMPOSITION, AND METHOD OF OZONATION Lion Corporation (JP) 2008-07-09 EP disclosed