SCHEMBL727261

SCHEMBL727261

CC(C)(C(=O)c1ccc(S(C)(=O)=O)cc1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
PTGS2 P35354 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL727009 1.00 HTT (0.47) HTTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL727187 0.84 ALDH1A1 (0.65) KMT2AALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL10943847 0.83 ALDH1A1 (0.50) HTTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL10944065 0.83 ALDH1A1 (0.50) HTTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL14946370 0.81 ALDH1A1 (0.49) KMT2AALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL9681689 0.81 ALDH1A1 (0.49) KMT2AALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL17265631 0.80 SMN1; SMN2 (0.54) HTTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL9681634 0.80 ALDH1A1 (0.48) HTTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL11896651 0.80 ALDH1A1 (0.48) HTTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL9680403 0.80 HPGD (0.52) HTTKMT2AALDH1A1SMN1; SMN2TSHR

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