SCHEMBL727319

SCHEMBL727319

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLK1 P53350 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
MLYCD O95822 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NOX1 Q9Y5S8 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL725753 0.88 TSHR (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL726032 0.85 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL58563 0.83 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL11896820 0.81 PLK1 (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL725568 0.81 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL726067 0.80 SMN1; SMN2 (0.43) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL10384831 0.80 CYP1A2 (0.44) ALDH1A1TSHRMLYCDMEN1KMT2A
SCHEMBL10889636 0.79 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL9766552 0.79 ADRA2A (0.40) ALDH1A1TSHRMLYCDMEN1KMT2A
SCHEMBL727211 0.78 TSHR (0.43) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1

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