SCHEMBL727137

SCHEMBL727137

C[S+]([O-])c1ccc(C(=O)C(C)(C)N2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
MLYCD O95822 1/20 0.36
HPGD P15428 2/20 0.36
HRH3 Q9Y5N1 1/20 0.34
MITF O75030 1/20 0.34
HTT P42858 3/20 0.33
THRA P10827 1/20 0.33
CYP2B6 P20813 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
GLA P06280 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL726144 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1MLYCD
SCHEMBL726073 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRMAPK1MLYCD
SCHEMBL10944065 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1MLYCD
SCHEMBL10943847 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1MLYCD
SCHEMBL725495 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL14946370 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL9681689 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL727009 0.78 HTT (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL727261 0.78 HTT (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL725493 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRMAPK1MLYCD

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