SCHEMBL727192

SCHEMBL727192

CCCN(CCC)C(C)(C)C(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.49
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
CA2 P00918 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
ABCC2 Q92887 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
UGT1A7 Q9HAW7 1/20 0.45
SLC22A11 Q9NSA0 1/20 0.45
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CA1 P00915 1/20 0.42
MLYCD O95822 1/20 0.42
AKR1C3 P42330 1/20 0.42
PTGS2 P35354 2/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL727459 0.89 GSR (0.46) GSRSMN1; SMN2EPHX2NR1H4AKR1C3
SCHEMBL14946386 0.80 MLYCD (0.46) CA2RAB9ASMN1; SMN2MLYCD
SCHEMBL10384789 0.78 CES1 (0.44) SMN1; SMN2MLYCD
SCHEMBL7493010 0.77 EPHX2 (0.47) GSREPHX2NR1H4AKR1C3PTGS2
Hydrochloric Acid SCHEMBL19305010 0.77 MLYCD (0.42) SMN1; SMN2MLYCD
SCHEMBL7487960 0.77 EPHX2 (0.47) GSREPHX2NR1H4AKR1C3PTGS2
SCHEMBL7481840 0.77 EPHX2 (0.47) GSREPHX2NR1H4AKR1C3PTGS2
SCHEMBL725568 0.76 ALDH1A1 (0.46) RAB9ASMN1; SMN2EPHX2NR1H4MLYCD
SCHEMBL7491225 0.76 EPHX2 (0.43) GSREPHX2NR1H4PTGS2
SCHEMBL13543239 0.76 ENPP2 (0.50) GSREPHX2NR1H4AKR1C3PTGS2

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