SCHEMBL28941990

SCHEMBL28941990

C=C(NC(=O)c1ccc(C)cc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SCN2A Q99250 2/20 0.48
SCN5A Q14524 1/20 0.48
GAA P10253 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
MMP13 P45452 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
DHODH Q02127 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL28941997 0.88 MAPT (0.51) ALDH1A1GAASMN1; SMN2HDAC1TDP1
SCHEMBL28941994 0.88 SMN1; SMN2 (0.57) ALDH1A1SCN2ASCN5AGAASMN1; SMN2
SCHEMBL28499074 0.87 SMN1; SMN2 (0.60) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL28941993 0.86 MAPT (0.50) ALDH1A1SMN1; SMN2HTTHDAC1HDAC6
SCHEMBL28941998 0.85 NPSR1 (0.52) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL28963867 0.80 NPC1 (0.51) ALDH1A1HDAC1NPC1RAB9AMAPT
SCHEMBL5705901 0.78 SMN1; SMN2 (0.51) ALDH1A1GAASMN1; SMN2HTTDHODH
SCHEMBL28942005 0.78 ABCB1 (0.43) ALDH1A1GAASMN1; SMN2TDP1RAB9A
SCHEMBL5086187 0.78 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2HTTDHODH
SCHEMBL28941981 0.77 PKM (0.50) ALDH1A1GAASMN1; SMN2NPC1RAB9A

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
CN-115650885-A Preparation method of N-acyl-2-amino acrylate 新乡学院 2023-01-31 CN disclosed