SCHEMBL725753

SCHEMBL725753

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MLYCD O95822 3/20 0.41
PLK1 P53350 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
HAO1 Q9UJM8 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
LMNA P02545 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
SCHEMBL727319 0.88 ALDH1A1 (0.49) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL725568 0.88 ALDH1A1 (0.46) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL11896820 0.84 PLK1 (0.44) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL726067 0.84 SMN1; SMN2 (0.43) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL727211 0.82 TSHR (0.43) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL10384422 0.81 KMT2A (0.43) SMN1; SMN2MLYCDKMT2AMEN1LMNA
SCHEMBL58563 0.80 ALDH1A1 (0.50) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL726032 0.80 ALDH1A1 (0.47) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL19007790 0.78 ALDH1A1 (0.46) TSHRALDH1A1MAPK1SMN1; SMN2TAS1R3
SCHEMBL12315760 0.77 THRB (0.52) MLYCDPLK1KMT2ATHRATHRB

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