SCHEMBL726032

SCHEMBL726032

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLK1 P53350 1/20 0.43
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
MLYCD O95822 2/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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 0.91 SMN1; SMN2 (0.43) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL725568 0.89 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL727211 0.86 TSHR (0.43) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL727319 0.85 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL19007790 0.85 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL10947586 0.82 HPGD (0.44) ALDH1A1SMN1; SMN2MLYCDPPARGPPARA
SCHEMBL725631 0.81 MLYCD (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL10103988 0.81 CA2 (0.46) ALDH1A1SMN1; SMN2MLYCDLMNAMAPT
SCHEMBL58563 0.81 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2PLK1
SCHEMBL10889636 0.80 ALDH1A1 (0.42) 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 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
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
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
US-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed