SCHEMBL28499074

SCHEMBL28499074

C=C(NC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 5/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.57
ATM Q13315 1/20 0.57
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL28941990 0.87 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTTSHRATM
SCHEMBL14343529 0.84 LMNA (0.53) SMN1; SMN2ALDH1A1MAPTTSHRKDM4E
SCHEMBL28941997 0.84 MAPT (0.51) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA
SCHEMBL28941994 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MAPTTSHRATM
SCHEMBL28926828 0.83 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MAPTTSHRATM
SCHEMBL28941993 0.83 MAPT (0.50) SMN1; SMN2ALDH1A1MAPTTSHRATM
SCHEMBL30363504 0.83 PKM (0.50) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA
SCHEMBL28941981 0.83 PKM (0.50) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA
SCHEMBL28963867 0.83 NPC1 (0.51) ALDH1A1MAPTKDM4ENPSR1NPC1
SCHEMBL28941998 0.82 NPSR1 (0.52) SMN1; SMN2ALDH1A1MAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109467639-B Thermo-sensitive poly (acetamido ethyl acrylate-co-benzoyl amino ethyl acrylate) and preparation method thereof 河北大学 2020-11-24 CN claimed
CN-115650885-A Preparation method of N-acyl-2-amino acrylate 新乡学院 2023-01-31 CN disclosed
CN-109467639-B Thermo-sensitive poly (acetamido ethyl acrylate-co-benzoyl amino ethyl acrylate) and preparation method thereof 河北大学 2020-11-24 CN disclosed
CN-104817486-B A kind of synthetic method of ramipril intermediate 浙江工业大学 2018-05-22 CN disclosed