SCHEMBL7824643

SCHEMBL7824643

CCOc1ccc(NC(=O)CCCC(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
POLB P06746 3/20 0.69
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 1/20 0.61
HPGD P15428 1/20 0.61
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 4/20 0.60
TSHR P16473 2/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 3/20 0.58
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL7824567 0.91 HTT (0.75) GAAL3MBTL1POLBHTTSMN1; SMN2
SCHEMBL8986265 0.88 POLB (0.73) GAAL3MBTL1POLBHTTSMN1; SMN2
SCHEMBL11642285 0.85 POLB (0.69) GAAL3MBTL1POLBHTTSMN1; SMN2
SCHEMBL10652806 0.85 POLB (0.69) GAAL3MBTL1POLBHTTSMN1; SMN2
SCHEMBL8443095 0.85 POLB (0.69) GAAL3MBTL1POLBHTTSMN1; SMN2
SCHEMBL17268200 0.84 L3MBTL1 (0.81) GAAL3MBTL1POLBHTTSMN1; SMN2
SCHEMBL9842944 0.84 POLB (0.77) GAAPOLBHTTSMN1; SMN2NPC1
SCHEMBL7107371 0.83 POLB (0.82) GAAL3MBTL1POLBHPGDALDH1A1
SCHEMBL7828620 0.82 ALDH1A1 (0.70) GAAL3MBTL1POLBSMN1; SMN2HPGD
SCHEMBL9312707 0.82 POLB (1.00) POLBHTTSMN1; SMN2NPC1HPGD

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed