SCHEMBL14966254

SCHEMBL14966254

NC(=O)CCOCCc1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9850277 0.84 SMN1; SMN2 (0.41) FDPSALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL250283 0.82 FDPS (0.46) FDPSALDH1A1HPGDSMN1; SMN2MAPK1
Sulfuric Acid SCHEMBL28641532 0.81 CA1 (0.39) FDPSALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3790529 0.80 FDPS (0.44) FDPSALDH1A1SMN1; SMN2MAPK1KDM4E
Hydrochloric Acid SCHEMBL11232270 0.80 FDPS (0.44) FDPSALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL4564283 0.80 MTNR1A (0.54) ALDH1A1HPGDL3MBTL1TDP1KDM4E
Hydrochloric Acid SCHEMBL10784054 0.79 FDPS (0.43) FDPSALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL27754704 0.79 MPO (0.44) FDPSMTNR1AHDAC3HDAC1HDAC2
SCHEMBL3820690 0.77 TDP1 (0.52) ALDH1A1HSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL13873296 0.77 LMNA (0.51) FDPSALDH1A1HSD17B10HPGDSMN1; SMN2

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-2013072933-A2 PROCESS FOR PREPARATION OF 2-ACETAMIDO-N-BENZYL-3-METHOXYPROPIONAMIDE GLENMARK GENERICS LIMITED (IN) 2013-05-23 WO disclosed