SCHEMBL28941981

SCHEMBL28941981

C=C(NC(=O)c1cccc(Cl)c1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.47
HPGD P15428 2/20 0.47
XPO1 O14980 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 2/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL30363504 1.00 PKM (0.50) PKMALDH1A1MAPTKDM4EPOLB
SCHEMBL28942005 0.86 ABCB1 (0.43) ALDH1A1MAPTGAAXPO1RAB9A
SCHEMBL28941994 0.83 SMN1; SMN2 (0.57) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL28499074 0.83 SMN1; SMN2 (0.60) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL10348025 0.83 PKM (0.49) PKMALDH1A1MAPTKDM4EPOLB
SCHEMBL3903964 0.81 XPO1 (0.51) ALDH1A1MAPTGAAHPGDXPO1
SCHEMBL18974108 0.80 KMT2A (0.56) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL28963867 0.78 NPC1 (0.51) ALDH1A1MAPTKDM4EPOLBKMT2A
SCHEMBL3018743 0.78 MAPT (0.51) ALDH1A1MAPTGAAHPGDXPO1
SCHEMBL28941990 0.77 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EGAAKMT2A

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