SCHEMBL4442140

SCHEMBL4442140

CCOC(=O)CCN(C1CCCCC1)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 8/20 0.44
NPSR1 Q6W5P4 3/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.43
ALOX15 P16050 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL22216377 0.79 MGAM (0.42) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL3286934 0.79 MGAM (0.42) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL3188799 0.78 TSHR (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL13283392 0.77 ADH1A (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL22216156 0.77 MGAM (0.44) ALDH1A1NPSR1LMNAL3MBTL1TSHR
SCHEMBL19718781 0.76 SMYD3 (0.40) KMT2ASMN1; SMN2ALDH1A1LMNAALOX15
SCHEMBL4448678 0.75 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL13283389 0.74 ADH1A (0.41) KMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL9832531 0.73 LMNA (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL31126845 0.73 CYP1A2 (0.41) SMN1; SMN2ALDH1A1NPSR1ALOX15L3MBTL1

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-2109632-A2 MATERIAL COMPRISING POLYAZACYCLOALKANES GRAFTED ONTO POLYPROPYLENE FIBRES METHOD FOR PRODUCTION THEREOF AND METHOD FOR REMOVAL OF METAL CATIONS FROM A LIQUID Commissariat à l'Energie Atomique (FR) 2009-10-21 EP disclosed
WO-2008099114-A2 MATERIAL COMPRISING POLYAZACYCLOALKANES GRAFTED ONTO POLYPROPYLENE FIBRES METHOD FOR PRODUCTION THEREOF AND METHOD FOR REMOVAL OF METAL CATIONS FROM A LIQUID COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-08-21 WO disclosed