SCHEMBL29048164

SCHEMBL29048164

CC(C)(C)OC(=O)NC1CC(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 8/20 0.56
POLB P06746 3/20 0.55
KMT2A Q03164 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
STAT6 P42226 1/20 0.49
NPY1R P25929 1/20 0.48
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL5132571 0.86 NPY1R (0.59) KMT2AL3MBTL1NPY1RSCN9A
SCHEMBL7416762 0.86 NPY1R (0.59) KMT2AL3MBTL1NPY1RSCN9A
SCHEMBL26322639 0.84 KLK7 (0.46) KMT2AL3MBTL1NPY1RSCN9A
SCHEMBL3932081 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1POLBKMT2AMAPT
SCHEMBL6216047 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1POLBKMT2AMAPT
SCHEMBL3932072 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1POLBKMT2AMAPT
SCHEMBL2325330 0.84 NPY1R (0.45) SMN1; SMN2ALDH1A1POLBKMT2AL3MBTL1
SCHEMBL9636282 0.83 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1POLBKMT2AMAPT
SCHEMBL26745906 0.82 KLK7 (0.46) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL2847250 0.82 NPY1R (0.49) SMN1; SMN2ALDH1A1KMT2AL3MBTL1NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283990-B Application of substituted pyrrolidone compound as tumor necrosis factor inhibitor 沈阳药科大学 2023-12-15 CN disclosed
CN-116283990-A Application of substituted pyrrolidone compound as tumor necrosis factor inhibitor 沈阳药科大学 2023-06-23 CN disclosed