SCHEMBL727459

SCHEMBL727459

CCN(CC)C(C)(C)C(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
PTGS2 P35354 1/20 0.42
ENPP2 Q13822 1/20 0.40
AKR1C3 P42330 2/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL727192 0.89 GSR (0.49) GSRSMN1; SMN2EPHX2NR1H4PTGS2
SCHEMBL10947586 0.81 HPGD (0.44) SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL10103988 0.80 CA2 (0.46) SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL10384361 0.78 MLYCD (0.45) SMN1; SMN2LMNAALDH1A1
SCHEMBL7481840 0.78 EPHX2 (0.47) GSREPHX2NR1H4PTGS2ENPP2
SCHEMBL7487960 0.78 EPHX2 (0.47) GSREPHX2NR1H4PTGS2ENPP2
SCHEMBL7493010 0.78 EPHX2 (0.47) GSREPHX2NR1H4PTGS2ENPP2
SCHEMBL58072 0.78 CES1 (0.45) ALDH1A1
SCHEMBL13543239 0.77 ENPP2 (0.50) GSREPHX2NR1H4PTGS2ENPP2
SCHEMBL9315479 0.77 MAPT (0.47) LMNAHTTALDH1A1

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