SCHEMBL5284320

SCHEMBL5284320

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
NR1I2 O75469 5/20 0.39
MEN1 O00255 1/20 0.39
CNR2 P34972 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
NR1H4 Q96RI1 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
SCHEMBL19602565 0.82 CA1 (0.39) LMNAHTTNR1I2TAS2R14
SCHEMBL924868 0.81 NPC1 (0.38) MAPK1KMT2AMEN1TAS2R14MAPT
SCHEMBL5281121 0.81 TAS2R14 (0.40) KMT2AMEN1CNR2TAS2R14MAPT
SCHEMBL5425396 0.81 POLB (0.41) MAPK1KMT2AMEN1TAS2R14MAPT
SCHEMBL31378586 0.80 L3MBTL1 (0.48) KMT2AMEN1TDP1L3MBTL1MAPT
SCHEMBL5425873 0.79 POLB (0.37) MAPK1KMT2ALMNATAS2R14MAPT
SCHEMBL5429167 0.77 CYP4F2 (0.38) KMT2ALMNAMEN1CNR2TAS2R14
SCHEMBL5108292 0.76 NPSR1 (0.42) MAPK1LMNANR1I2L3MBTL1MAPT
SCHEMBL17593041 0.76 NR3C1 (0.47) MAPK1KMT2ALMNANR1I2TSHR
SCHEMBL30871416 0.74 ALDH1A1 (0.44) KMT2AHTTMEN1TDP1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
EP-1425001-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-06-09 EP disclosed
WO-2003024439-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-03-27 WO disclosed