SCHEMBL7647293

SCHEMBL7647293

COc1ccc(NCCCC[PH](=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.58
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.47
PPARG P37231 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
PTPN1 P18031 1/20 0.43
APP P05067 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GCGR P47871 1/20 0.42
BCHE P06276 1/20 0.41

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
SCHEMBL7648479 0.82 MAPT (0.53) GAAMAPTALDH1A1L3MBTL1PTPN1
SCHEMBL7649211 0.79 PRSS1 (0.43) GAAMAPTALDH1A1HDAC8HDAC6
SCHEMBL7645206 0.79 PRSS1 (0.43) GAAMAPTALDH1A1HDAC1
SCHEMBL7646888 0.78 ALDH1A1 (0.57) MAPTALDH1A1L3MBTL1HDAC3HDAC1
SCHEMBL5605088 0.77 GAA (0.66) GAAMAPTALDH1A1PPARGL3MBTL1
SCHEMBL11331749 0.76 GAA (0.70) GAAMAPTALDH1A1PPARGL3MBTL1
SCHEMBL11112945 0.76 GAA (0.70) GAAMAPTALDH1A1PPARGL3MBTL1
SCHEMBL917492 0.76 GAA (0.59) GAAMAPTALDH1A1PPARGL3MBTL1
SCHEMBL1030950 0.75 GAA (1.00) GAAMAPTALDH1A1PPARGL3MBTL1
SCHEMBL7650078 0.75 ALDH1A1 (0.64) GAAMAPTALDH1A1L3MBTL1NPC1

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
WO-2002100871-A1 NEW COMPOUNDS USEFUL IN REFLUX DISEASE ASTRAZENECA AB (SE) 2002-12-19 WO claimed
WO-2002100871-A1 NEW COMPOUNDS USEFUL IN REFLUX DISEASE ASTRAZENECA AB (SE) 2002-12-19 WO disclosed