SCHEMBL725655

SCHEMBL725655

COC1(c2ccc(S(C)(=O)=O)cc2)OC12CCCCC2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.37
PTGS1 P23219 7/20 0.37
HTT P42858 1/20 0.34
RORC P51449 1/20 0.33
ENPP2 Q13822 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
SCHEMBL725974 0.78 PTGS2 (0.42) PTGS2PTGS1ENPP2
SCHEMBL27672301 0.65 SLC6A4 (0.43) PTGS2PTGS1
SCHEMBL624793 0.64 PTGS2 (0.43) PTGS2
SCHEMBL8198598 0.63 ENPP2 (0.45) PTGS2PTGS1ENPP2
SCHEMBL29444645 0.63 PTGS2 (0.43) PTGS2PTGS1HTTENPP2
SCHEMBL2376239 0.62 ENPP2 (0.72) PTGS2ENPP2
SCHEMBL27715615 0.62 PTGS2 (0.39) PTGS2PTGS1HTTENPP2
SCHEMBL7000663 0.61 SIGMAR1 (0.47) PTGS2PTGS1HTT
SCHEMBL5605482 0.60 ENPP2 (0.42) PTGS2PTGS1ENPP2
SCHEMBL5140237 0.60 ALDH1A1 (0.43) PTGS2PTGS1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
EP-2585431-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-01 EP disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed