SCHEMBL5224263

SCHEMBL5224263

CCCCOC(=O)NCCC(CC(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
LMNA P02545 2/20 0.55
ACHE P22303 7/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42

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
SCHEMBL3663783 0.87 RAB9A (0.64) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL10440897 0.82 NPC1 (0.57) SMN1; SMN2NPC1RAB9ALMNAACHE
SCHEMBL19331815 0.82 NPC1 (0.57) SMN1; SMN2NPC1RAB9ALMNAACHE
SCHEMBL6251493 0.81 RAB9A (0.63) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL9468152 0.79 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2289954 0.78 GABBR2 (0.58) POLBFNTAFNTBGABBR2GABBR1
SCHEMBL3661888 0.77 ACHE (0.54) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14040614 0.76 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL844472 0.76 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL7663044 0.76 GABBR2 (0.56) POLBGABBR2GABBR1

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-1781649-A2 SUBSTITUTED HYDANTOINS F. Hoffmann-Roche AG (CH) 2007-05-09 EP disclosed
WO-2006018188-A2 SUBSTITUTED HYDANTOINS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-23 WO disclosed