SCHEMBL727273

SCHEMBL727273

C[S+]([O-])c1ccc(C(=O)C2(N3CCCC3)CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 1/20 0.37
OPRM1 P35372 2/20 0.34
OPRL1 P41146 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL725808 0.80 HTT (0.58) MEN1KMT2AHTTALDH1A1NPC1
SCHEMBL16576960 0.79 ALDH1A1 (0.56) MEN1KMT2AHTTALDH1A1TP53
SCHEMBL727241 0.78 MEN1 (0.49) MEN1KMT2AHTTALDH1A1TP53
SCHEMBL727265 0.78 MEN1 (0.49) MEN1KMT2AHTTALDH1A1TP53
SCHEMBL13863437 0.75 ALDH1A1 (0.41) MEN1KMT2AHTTALDH1A1TP53
SCHEMBL11896695 0.75 RAB9A (0.46) MEN1KMT2AHTTALDH1A1TP53
SCHEMBL11896646 0.74 MEN1 (0.37) MEN1KMT2AHTTALDH1A1TP53
SCHEMBL9561706 0.72 ALDH1A1 (0.51) KMT2AHTTALDH1A1TP53OPRM1
SCHEMBL727137 0.71 ALDH1A1 (0.43) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL725481 0.70 OPRM1 (0.32) OPRM1HPGD

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 13 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
CN-102958909-B metal-free bleaching compositions 巴斯夫欧洲公司 2016-11-09 CN 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
CN-102958909-A metal-free bleaching compositions BASF S E 2013-03-06 CN 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