SCHEMBL725688

SCHEMBL725688

CSc1ccc(C(=O)C(C)(C)N(C)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
PLK1 P53350 1/20 0.42
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
SLC6A4 P31645 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
NOX1 Q9Y5S8 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL58563 0.83 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL727319 0.77 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL726032 0.75 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL725753 0.75 TSHR (0.47) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL13610814 0.75 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL19007790 0.74 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL725568 0.74 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL725552 0.73 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL6964815 0.73 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1
SCHEMBL727211 0.72 TSHR (0.43) ALDH1A1TSHRSMN1; SMN2MAPK1PLK1

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