SCHEMBL3346477

SCHEMBL3346477

O=C(O)C1CCN(C(=O)OCCl)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM1 P11229 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 3/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL3346471 0.87 GAA (0.51) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL4210140 0.83 GAA (0.71) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL3020727 0.81 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL3499191 0.80 MAPT (0.62) SMN1; SMN2GAAALDH1A1CYP2C19CHRM1
SCHEMBL12987073 0.80
SCHEMBL8259432 0.79 ALDH1A1 (0.58) SMN1; SMN2NPC1GAAALDH1A1CHRM1
SCHEMBL11578382 0.79 GAA (0.56) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL20827152 0.77 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL5454532 0.77 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL5676009 0.77 RAB9A (0.55) SMN1; SMN2RAB9ANPC1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010053732-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORPORATION (US) 2010-05-14 WO disclosed