SCHEMBL29191663

SCHEMBL29191663

CCOC(=O)CCN(CC)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPA1 O75762 1/20 0.40
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
ALOX5 P09917 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL16475 0.83 CYP1A2 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11342514 0.82 CYP1A2 (0.42) CYP1A2GAAMGAMSIMGAM2
SCHEMBL9685398 0.82 GAA (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL22461121 0.80 DNM1 (0.46) CYP1A2ALDH1A1LMNATSHR
SCHEMBL5078874 0.80 DNM1 (0.46) CYP1A2ALDH1A1LMNATSHR
SCHEMBL28424739 0.79 GAA (0.43) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10654873 0.79 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11668776 0.79 MEN1 (0.54) CYP1A2GAAMGAMSIMGAM2
SCHEMBL14281116 0.79 CA12 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL25211443 0.78 ALDH1A1 (0.64) CYP1A2GAAMGAMSIMGAM2

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-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed