SCHEMBL8621497

SCHEMBL8621497

[CH2]CCNNC(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL12841650 0.83 GAA (0.44) GAAMGAMSIMGAM2LMNA
SCHEMBL27884500 0.81 GAA (0.43) GAAMGAMSIMGAM2LMNA
SCHEMBL19931511 0.79 GAA (0.42) GAAMGAMSIMGAM2LMNA
SCHEMBL12809439 0.79 ACHE (0.48) GAA
SCHEMBL499676 0.78
SCHEMBL250456 0.78
SCHEMBL7398464 0.78 GAA (0.44) GAAMGAMSIMGAM2LMNA
SCHEMBL11090012 0.78 EPHX1 (0.47) GAA
SCHEMBL355253 0.77 GAA (0.55) GAAMGAMSIMGAM2LMNA
SCHEMBL173858 0.76 EPHX1 (0.50)

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
US-5710324-A AMINE CONTAINING COMPOUNDS MERRELL PHARMACEUTICALS INC. (US) 1998-01-20 US disclosed