SCHEMBL726067

SCHEMBL726067

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MLYCD O95822 5/20 0.40
PLK1 P53350 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HAO1 Q9UJM8 1/20 0.36
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ATM Q13315 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
SCHEMBL725568 0.95 ALDH1A1 (0.46) SMN1; SMN2TSHRALDH1A1MAPK1TAS1R3
SCHEMBL726032 0.91 ALDH1A1 (0.47) SMN1; SMN2TSHRALDH1A1MAPK1TAS1R3
SCHEMBL727211 0.87 TSHR (0.43) SMN1; SMN2TSHRALDH1A1MAPK1TAS1R3
SCHEMBL725753 0.84 TSHR (0.47) SMN1; SMN2TSHRALDH1A1MAPK1TAS1R3
SCHEMBL19007790 0.83 ALDH1A1 (0.46) SMN1; SMN2TSHRALDH1A1MAPK1TAS1R3
SCHEMBL727319 0.80 ALDH1A1 (0.49) SMN1; SMN2TSHRALDH1A1MAPK1TAS1R3
SCHEMBL725631 0.79 MLYCD (0.44) SMN1; SMN2TSHRALDH1A1MAPK1TAS1R3
SCHEMBL10885979 0.78 ALDH1A1 (0.46) SMN1; SMN2TSHRALDH1A1MAPK1TAS1R3
SCHEMBL16312880 0.78 FFAR1 (0.45) SMN1; SMN2ALDH1A1MLYCDKMT2AMEN1
SCHEMBL14946386 0.78 MLYCD (0.46) SMN1; SMN2ALDH1A1MLYCDKMT2ALMNA

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