SCHEMBL727242

SCHEMBL727242

CCN(CC)C1(C(=O)c2ccc(S(C)(=O)=O)cc2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.42
GSR P00390 2/20 0.41
PTGS2 P35354 5/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL725481 0.81 OPRM1 (0.32) HPGDNPSR1
SCHEMBL726294 0.79 SLC6A4 (0.41) SMN1; SMN2KMT2AHPGD
SCHEMBL727190 0.75 HTT (0.47) HTTKMT2AGSRPTGS2
SCHEMBL7487934 0.74 HTT (0.46) HTTSMN1; SMN2KMT2AGSRPTGS2
SCHEMBL725808 0.70 HTT (0.58) HTTSMN1; SMN2KMT2A
SCHEMBL10886082 0.69 OPRM1 (0.40) SMN1; SMN2KMT2AHPGDNPSR1
SCHEMBL12220052 0.67 L3MBTL1 (0.68) HTTSMN1; SMN2KMT2AGSRHPGD
SCHEMBL10458499 0.66 MEN1 (0.45) HTTSMN1; SMN2KMT2A
SCHEMBL9679489 0.65 ALDH1A1 (0.50) KMT2AHPGD
SCHEMBL1185872 0.65 GSR (0.61) SMN1; SMN2GSRPTGS2

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