SCHEMBL726294

SCHEMBL726294

CCN(CC)C1(C(=O)c2ccc(SC)cc2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
PLK1 P53350 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
TNF P01375 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C19 P33261 1/20 0.36
HAO1 Q9UJM8 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 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
SCHEMBL10886082 0.87 OPRM1 (0.40) SLC6A4SLC6A3OPRM1OPRD1PLK1
SCHEMBL727242 0.79 HTT (0.45) KMT2ASMN1; SMN2HPGD
SCHEMBL725481 0.79 OPRM1 (0.32) OPRM1OPRD1HPGD
SCHEMBL726159 0.74 MEN1 (0.46) SLC6A4SLC6A3PLK1KMT2AMEN1
SCHEMBL6986662 0.73 PLK1 (0.46) SLC6A4SLC6A3PLK1KMT2AMEN1
SCHEMBL727265 0.70 MEN1 (0.49) PLK1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL727241 0.70 MEN1 (0.49) PLK1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10458499 0.67 MEN1 (0.45) PLK1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL751000 0.66 OPRM1 (0.67) OPRM1OPRD1PLK1KMT2AMEN1
SCHEMBL9679489 0.66 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPK1NPC1

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