SCHEMBL725568

SCHEMBL725568

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MLYCD O95822 3/20 0.43
PLK1 P53350 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HAO1 Q9UJM8 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 2/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL726067 0.95 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2TSHRMAPK1TAS1R3
SCHEMBL727211 0.91 TSHR (0.43) ALDH1A1SMN1; SMN2TSHRMAPK1TAS1R3
SCHEMBL726032 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1TAS1R3
SCHEMBL725753 0.88 TSHR (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1TAS1R3
SCHEMBL19007790 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRMAPK1TAS1R3
SCHEMBL725631 0.83 MLYCD (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1TAS1R3
SCHEMBL10885979 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRMAPK1TAS1R3
SCHEMBL16312880 0.82 FFAR1 (0.45) ALDH1A1SMN1; SMN2MLYCDKMT2AMEN1
SCHEMBL14946386 0.81 MLYCD (0.46) ALDH1A1SMN1; SMN2MLYCDKMT2AMEN1
SCHEMBL727319 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1TAS1R3

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