SCHEMBL5697307

SCHEMBL5697307

O=S(=O)(CCCOC1CCCCO1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4C Q9H3R0 1/20 0.41
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 3/20 0.36
CREBBP Q92793 2/20 0.36
EP300 Q09472 1/20 0.36
CA12 O43570 2/20 0.35
MGLL Q99685 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX3 P56373 1/20 0.33

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
SCHEMBL21068739 0.80 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21069187 0.80 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21069202 0.80 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL10821993 0.80 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL26651890 0.79 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1
SCHEMBL24574174 0.79 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL22787030 0.79 MEN1 (0.52) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21068789 0.79 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21069119 0.79 MEN1 (0.52) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21068591 0.79 MEN1 (0.52) MEN1KMT2AKDM4CL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 WO disclosed